SCHEMBL9812404

SCHEMBL9812404

CCC1CCC(c2ccc(C(=O)Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
USP5 P45974 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LSS P48449 2/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL9812395 1.00 CYP11B1 (0.40) CYP11B1CYP11B2MAOAMAOBUSP5
SCHEMBL9812513 0.92 HIF1A (0.37) USP5HDAC6NPC1MAPTCASP3
SCHEMBL9812501 0.92 HIF1A (0.37) USP5HDAC6NPC1MAPTCASP3
SCHEMBL9812514 0.91 HIF1A (0.41) MAOBNPC1RAB9A
SCHEMBL9812523 0.91 HIF1A (0.41) MAOBNPC1RAB9A
SCHEMBL9812485 0.90 SCN9A (0.37) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL9812491 0.90 SCN9A (0.37) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL10484281 0.89 KMT2A (0.39) USP5HDAC6NPC1MAPTCASP3
SCHEMBL10484276 0.89 KMT2A (0.39) USP5HDAC6NPC1MAPTCASP3
SCHEMBL9812497 0.88 MAOB (0.38) MAOBNPC1MAPTRAB9ASMN1; SMN2

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
EP-0219975-B1 FLUOROPHENYLCYCLOHEXANE DERIVATIVE Chisso Corporation (JP) 1991-07-03 EP disclosed
EP-0219975-A1 Fluorophenylcyclohexane derivative Chisso Corporation (JP) 1987-04-29 EP disclosed