SCHEMBL9812709

SCHEMBL9812709

CCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 2/20 0.39
THRB P10828 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
FASN P49327 1/20 0.36
PTGER4 P35408 1/20 0.36
MMP2 P08253 2/20 0.36
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR3 P29371 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL9812702 1.00 TP53 (0.41) TP53MAPTLMNAKDM1ATHRB
SCHEMBL9812411 0.90 HIF1A (0.39) MAPTLMNATHRBRARARARB
SCHEMBL9812415 0.90 HIF1A (0.39) MAPTLMNATHRBRARARARB
SCHEMBL8045784 0.89 CYP2C9 (0.42) TP53MAPTLMNAKDM1AFASN
SCHEMBL9812514 0.86 HIF1A (0.41) ALDH1A1HPGDKMT2ATACR3
SCHEMBL9812523 0.86 HIF1A (0.41) ALDH1A1HPGDKMT2ATACR3
SCHEMBL9812579 0.86 MGLL (0.42) MAPTMGLL
SCHEMBL9812582 0.86 MGLL (0.42) MAPTMGLL
SCHEMBL11033937 0.85 MGLL (0.43) TP53MAPTLMNAKDM1ARARA
SCHEMBL9812538 0.85 USP30 (0.44) TP53KDM1ATHRBFASNMGLL

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
US-4855076-A Fluorophenylcyclohexane derivative CHISSO CORPORATION (JP) 1989-08-08 US disclosed