SCHEMBL7925832

SCHEMBL7925832

CC1=C([Ti](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)C(C)C2=C1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 1/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31

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
SCHEMBL7925825 0.88 MEN1 (0.34) LMNAKMT2AMEN1GAACYP1A2
SCHEMBL7919131 0.80 TSHR (0.41) TSHRSLC6A2SLC6A3LMNAF2
SCHEMBL7928607 0.74 KDM4E (0.30)
SCHEMBL7927680 0.72 CHRNA7 (0.32) TSHRSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7927345 0.72 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7924736 0.72 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7927302 0.72 MEN1 (0.35) LMNAKMT2AMEN1CYP1A2
SCHEMBL7927250 0.72 F2 (0.39) TSHRSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7927630 0.71 CHRNA7 (0.32) TSHRSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7927275 0.71 CHRNA7 (0.32) TSHRSLC6A2SLC6A4SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed