SCHEMBL8168580

SCHEMBL8168580

[CH2]CCCOc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
RECQL P46063 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 2/20 0.47
TTR P02766 1/20 0.47
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2004128 0.89 L3MBTL1 (0.58) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL5659994 0.81 L3MBTL1 (0.63) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL1321165 0.80 L3MBTL1 (0.52) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL255559 0.79 L3MBTL1 (0.72) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL29824548 0.79 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL3074417 0.79 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL3254833 0.79 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4372684 0.79 L3MBTL1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL22111020 0.78 L3MBTL1 (0.60) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL3174750 0.78 KDM4E (0.71) L3MBTL1TDP1KDM4EKMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066756-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
EP-0421227-B1 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF AG (DE) 1994-06-15 EP disclosed
US-5081142-A DERIVATIVES OF 1-HYDROXY-1,2,4-TRIAZOLE AND FUNGICIDES AND GROWTH REGULATORS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0421227-A2 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF Aktiengesellschaft (DE) 1991-04-10 EP disclosed
EP-0163895-B1 PROCESS FOR THE DIASTEREOSELECTIVE REDUCTION OF ALPHA-TRIAZOLYL KETONES TO BETA-TRIAZOLYL CARBINOLS BASF Aktiengesellschaft (DE) 1989-04-12 EP disclosed
US-4748250-A Diastereoselective reduction of alpha-triazolylketones to betatriazolylcarbinols BASF AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0163895-A1 Process for the diastereoselective reduction of alpha-triazolyl ketones to beta-triazolyl carbinols BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed