SCHEMBL7761134

SCHEMBL7761134

[CH2]Cc1cccc2cccc(C[CH2])c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 4/20 0.45
CYP1A2 P05177 4/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.36
HTR2A P28223 3/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 3/20 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
SCHEMBL28292349 0.84 FFAR1 (0.37) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL1971149 0.82 CYP1A2 (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL5830298 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL26212 0.74 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL3625531 0.74 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL1538525 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL28190 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL31284939 0.72 PNMT (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL27015 0.72 CYP1A2 (0.45) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL9817745 0.72 PNMT (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD

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-0752428-B1 Metallocene catalyst for the (co)polimerization of alpha-olefins ENICHEM SPA (IT) 2001-04-04 EP disclosed
US-5753578-A ADDITION POLYMERIZATION CATALYSTS CONTAINING A CO-CATALYST ENICHEM S.P.A. (IT) 1998-05-19 US disclosed
EP-0752428-A2 Metallocene catalyst for the (co)polimerization of alpha-olefins ENICHEM S.p.A. (IT) 1997-01-08 EP disclosed