SCHEMBL9748672

SCHEMBL9748672

ClC1=CC=CC1=C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NR4A1 P22736 1/20 0.37
CYP1A2 P05177 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PTGS2 P35354 2/20 0.35
CYP1B1 Q16678 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL11327650 0.76 CES2 (0.54) CES2CES1TSHRALOX15MAPT
SCHEMBL33953 0.68 CES2 (0.65) CES2CES1TSHRALOX15MAPT
SCHEMBL9971796 0.68 CES2 (0.65) CES2CES1TSHRALOX15MAPT
SCHEMBL14119103 0.68 CES2 (0.65) CES2CES1TSHRALOX15MAPT
SCHEMBL8346950 0.68 CES2 (0.65) CES2CES1TSHRALOX15MAPT
SCHEMBL14119105 0.68 CES2 (0.65) CES2CES1TSHRALOX15MAPT
SCHEMBL1073684 0.68 CES2 (0.44) CES2CES1TSHRALOX15MAPT
SCHEMBL9226914 0.67 CES1 (0.43) CES2CES1TSHRALOX15MAPT
SCHEMBL401165 0.66 CES2 (0.46) CES2CES1TSHRALOX15MAPT
SCHEMBL912515 0.65 CES2 (1.00) CES2CES1TSHRALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141937-A Treatment of hyperlipidemias HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0308839-A2 Pharmaceutical composition containing a 7-diphenyl methylene bicycloheptane or a 7-diphenyl methylene bicycloheptene derivative, use of these compounds as medicines, these 7-diphenyl methylene bicycloheptanes and 7-diphenyl bicycloheptenes, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-29 EP disclosed