SCHEMBL9490428

SCHEMBL9490428

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CDK2 P24941 1/20 0.38
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9374070 0.92 THRA (0.40) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9373091 0.90 MEN1 (0.38) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9490430 0.89 GPR84 (0.39) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9490142 0.89 GPR84 (0.39) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9372611 0.88 MEN1 (0.40) MEN1KMT2A
SCHEMBL9377057 0.87 GPR84 (0.38) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9374269 0.87 PPARD (0.39) MEN1KMT2AATML3MBTL1GPR84
SCHEMBL9488618 0.87 POLB (0.41) MEN1KMT2AATML3MBTL1CDK2
SCHEMBL9372058 0.87 KMT2A (0.36) NPC1MEN1KMT2AATML3MBTL1
SCHEMBL9757562 0.87 HDAC3 (0.37) NPC1MEN1KMT2AATML3MBTL1

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