SCHEMBL9541818

SCHEMBL9541818

CC(C)Cc1cccc(OCc2cccc(C(=O)n3cc(CCCC(=O)O)c4ccc(Cl)cc43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.42
NR4A2 P43354 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PLA2G4A P47712 1/20 0.40
PTGER1 P34995 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38

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
SCHEMBL9538976 0.94 PPARD (0.41) NR4A2MAOAMAOBPLA2G4AMRGPRX4
SCHEMBL9369149 0.90 OXER1 (0.45) MCL1MAOBPTGER1MRGPRX4FFAR1
SCHEMBL9538300 0.84 FFAR1 (0.46) MRGPRX4FFAR1
SCHEMBL9538924 0.81 OXER1 (0.46) MCL1MAOBPLA2G4APTGER1MRGPRX4
SCHEMBL9539906 0.79 PTGER1 (0.46) MCL1PTGER1MRGPRX4NPC1RAB9A
SCHEMBL9369131 0.78 MRGPRX4 (0.53) MCL1PTGER1MRGPRX4NPC1CYP1A2
SCHEMBL9369287 0.78 FFAR1 (0.45) MRGPRX4FFAR1
SCHEMBL9376615 0.77 MRGPRX4 (0.53) NR4A2MAOBPTGER1MRGPRX4NPC1
SCHEMBL9368734 0.77 MCL1 (0.40) MCL1PTGER1FFAR1
SCHEMBL9538788 0.77 OXER1 (0.44) MCL1NR4A2MAOBMRGPRX4NPC1

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
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed