SCHEMBL9490430

SCHEMBL9490430

CCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(CC(OC)OC)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CDK2 P24941 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9374269 0.91 PPARD (0.39) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9374264 0.89 GPR84 (0.37) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9490428 0.89 NPC1 (0.45) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9490142 0.89 GPR84 (0.39) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9374070 0.88 THRA (0.40) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9377057 0.87 GPR84 (0.38) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9373091 0.86 MEN1 (0.38) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9372074 0.86 PPARA (0.39) MEN1KMT2ATRPV1
SCHEMBL8951152 0.86 GPR84 (0.41) GPR84FFAR1MEN1KMT2AATM
SCHEMBL9376777 0.86 TRPV1 (0.36) GPR84FFAR1MEN1KMT2AATM

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-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed