SCHEMBL8622099

SCHEMBL8622099

Fc1ccc(OCc2ccccc2CCl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
EGFR P00533 1/20 0.42
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NR4A2 P43354 2/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
PARP14 Q460N5 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL8592349 0.82 MAOB (0.44) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL2387082 0.79 MAOB (0.56) MAOBNPC1MAPTCYP1A2CYP2C19
SCHEMBL8624161 0.78 MAPT (0.49) MAOBNPC1MAPTRAB9AMAOA
SCHEMBL28024930 0.78 MAOB (0.55) MAOBNPC1MAPTPARP15PARP10
SCHEMBL8623315 0.74 POLB (0.47) MAOBNPC1MAPTMAPK1RAB9A
SCHEMBL1539440 0.74 SMN1; SMN2 (0.50) MAOBNPC1CYP1A2CYP2C19NR4A2
SCHEMBL8589727 0.73 MAOB (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL8589725 0.73 MAOB (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL3769328 0.72 F2 (0.53) MAOBNPC1MAPK1CYP1A2CYP2C9
SCHEMBL17804382 0.71 MAOB (0.65) MAOBNPC1PARP15PARP10RAB9A

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-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed