SCHEMBL8716267

SCHEMBL8716267

COC(=O)c1cccc(Cc2[c]cccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
SLC7A5 Q01650 1/20 0.49
HIF1A Q16665 1/20 0.47
RAB9A P51151 4/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
MPO P05164 1/20 0.44
FOLH1 Q04609 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL3996389 0.84 IL4I1 (0.47) RAB9AMRGPRX4ALDH1A1NPC1LMNA
SCHEMBL2069334 0.81 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL6757752 0.78 HIF1A (0.57) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL8716270 0.78 LOXL2 (0.60) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL70173 0.75 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL126284 0.75 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL481481 0.75 CYP4F2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL12797648 0.75 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL6978758 0.75 CHRM2 (0.49) KMT2A
SCHEMBL45633 0.74 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5HIF1A

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-5763469-A Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-09 US disclosed