SCHEMBL9730381

SCHEMBL9730381

O=C(O)CCCC(=O)c1ccc(-c2ccccc2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.62
HNF4A P41235 2/20 0.62
FFAR1 O14842 3/20 0.49
DHFR P00374 1/20 0.49
MCL1 Q07820 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
ALOX5 P09917 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL9730413 0.82 HNF4A (0.51) ACMSDHNF4ACYP1A2SMN1; SMN2ALOX5
SCHEMBL27757652 0.80 ACMSD (0.66) ACMSDHNF4ADHFRMCL1SMN1; SMN2
SCHEMBL4948042 0.79 HDAC1 (0.52) ACMSDHNF4AFFAR1DHFRMCL1
Biphenyl SCHEMBL27929406 0.78 FFAR1 (0.61) FFAR1LMNACYP1A2RAB9ASMN1; SMN2
Glutarate SCHEMBL250428 0.78 FFAR1 (0.61) FFAR1LMNACYP1A2RAB9ASMN1; SMN2
SCHEMBL9077857 0.78 HDAC3 (0.58) LMNARAB9ASMN1; SMN2HTTHDAC1
SCHEMBL9245988 0.77 ACMSD (0.78) ACMSDHNF4ADHFRMCL1LMNA
SCHEMBL29810721 0.77 ACMSD (1.00) ACMSDHNF4ADHFRMCL1SMN1; SMN2
SCHEMBL2536183 0.77 ACMSD (1.00) ACMSDHNF4ADHFRMCL1SMN1; SMN2
SCHEMBL29164312 0.76 HDAC3 (0.61) LMNARAB9ASMN1; SMN2HTTHDAC1

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
US-5141951-A Treatment or prophylaxis of asthma, treatment of inflammation or psoriasis SANDOZ LTD. (CH) 1992-08-25 US disclosed
EP-0446180-A1 5-Phenyl-1H-pyrazol-4-propionic acid derivatives, their preparation and their use SANDOZ LTD. (CH) 1991-09-11 EP disclosed