SCHEMBL4270902

SCHEMBL4270902

CCOC(=O)CCCc1ccccc1N

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
CYP1A2 P05177 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
DHFR P00374 1/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43

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
SCHEMBL27567553 0.95 CYP4F2 (0.71) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL9713399 0.94 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL11404769 0.94 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL11075331 0.90 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11263678 0.89 CYP4F2 (0.67) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL27501902 0.87 CYP4F2 (0.56) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL2407934 0.84 CYP4F2 (0.53) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL1787169 0.84 TSHR (0.46) CYP4F2CYP4A11SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27936270 0.83 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11479613 0.83 CYP4F2 (0.67) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4

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
US-20090117626-A1 Process for preparing carboxylic acid using surfactant-modified enzyme UBE INDUSTRIES, LTD. (JP) 2009-05-07 US disclosed
EP-1887086-A1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID USING SURFACTANT-MODIFYING ENZYME Ube Industries, Ltd. (JP) 2008-02-13 EP disclosed
EP-0040418-B1 PROCESS FOR PREPARING AN 1H-INDAZOL-3-YLACETIC ACID DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-07-03 EP disclosed