SCHEMBL8336035

SCHEMBL8336035

COc1ccc(-c2cc(OCCCBr)cc(C)c2C(=O)c2csc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 2/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8340639 0.95 CNR2 (0.41) CNR2CNR1MAPTESR1ESR2
SCHEMBL8336077 0.93 MCL1 (0.40) CNR2MAPTCYP1A2CYP2C19MCL1
SCHEMBL8336809 0.88 CNR2 (0.47) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL8339168 0.88 MCL1 (0.38) CNR2MAPTESR1ESR2CYP1A2
SCHEMBL8336383 0.86 CNR2 (0.40) CNR2CNR1MAPTESR1ESR2
SCHEMBL8334344 0.86 MAPT (0.38) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL8336646 0.86 CNR2 (0.35) CNR2MAPTCYP1A2CYP2C19MCL1
SCHEMBL8335888 0.86 C5AR1 (0.38) CNR2MCL1BCL2BCL2L1BAD
SCHEMBL8336090 0.86 MAPT (0.39) CNR2CNR1MAPTESR1ESR2
SCHEMBL8339826 0.84 KDM4E (0.42) CNR2CNR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed