SCHEMBL9730413

SCHEMBL9730413

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
MMEL1 Q495T6 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX5 P09917 1/20 0.41
DHODH Q02127 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL25369718 0.83 MCL1 (0.53) HNF4AACMSDALDH1A1DHODHSMN1; SMN2
SCHEMBL14925380 0.82 HTT (0.68) HTTHPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9730381 0.82 ACMSD (0.62) HNF4AACMSDHTTALOX5CYP1A2
SCHEMBL9345558 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1ALOX5CYP1A2
SCHEMBL9730324 0.81 MCL1 (0.53) MMEL1ALOX5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3303798 0.80 CA12 (0.64) HNF4AACMSDHPGDALDH1A1GAA
SCHEMBL29178208 0.79 CYP4F2 (0.51) HTTCYP4F2CYP4A11ALDH1A1CYP1A2
SCHEMBL8567923 0.78 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1ALOX5CYP1A2
SCHEMBL27757652 0.78 ACMSD (0.66) HNF4AACMSDHPGDALDH1A1ALOX5
SCHEMBL3382930 0.78 L3MBTL1 (0.59) HPGDCYP4F2CYP4A11ALDH1A1GAA

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