SCHEMBL7465411

SCHEMBL7465411

Clc1ccc[c]c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
ALDH1A1 P00352 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CTRC Q99895 2/20 0.34
P2RX7 Q99572 2/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9185151 0.87 LMNA (0.43) ALDH1A1LMNATSHR
SCHEMBL7457661 0.80 CALM1 (0.41) CALM1ALDH1A1NR1H2NR1H3GSK3A
SCHEMBL8466360 0.80 CALM1 (0.55) CALM1ALDH1A1TSHRGSK3AGSK3B
SCHEMBL721135 0.79 CALM1 (0.44) CALM1KMT2AMEN1CYP3A4HPGD
SCHEMBL8106404 0.79 CALM1 (0.39) CALM1ALDH1A1NR1H2NR1H3LMNA
SCHEMBL7459473 0.78 CALM1 (0.42) CALM1ALDH1A1LMNAKMT2AMEN1
SCHEMBL28815316 0.78 CALM1 (0.42) CALM1ALDH1A1CYP3A4ALOX15SIGMAR1
SCHEMBL27486183 0.78 CALM1 (0.42) CALM1ALDH1A1TSHRKMT2AMEN1
SCHEMBL7453243 0.78 CALM1 (0.42) CALM1ALDH1A1LMNATSHRCYP3A4
SCHEMBL1551925 0.78 BCL2 (0.45) CALM1KMT2AMEN1CYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-0033088-B1 ANTIMYCOTIC AGENTS BAYER AG (DE) 1983-05-25 EP claimed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP claimed
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
US-4316932-A Combating fungi with α-azolyl-keto derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-02-23 US disclosed
EP-0007506-B1 DERIVATIVES OF ALPHA-AZOLYL KETONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-11-18 EP disclosed
US-4291047-A Combating fungi with α-azolyl-β-hydroxy-ketones BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
EP-0033087-A2 Triazolyl-alkandiole derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1981-08-05 EP disclosed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP disclosed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP disclosed
EP-0007506-A1 Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed