SCHEMBL11240376

SCHEMBL11240376

CCCCCCCCCCCCCCCCNc1ccccc1CCCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.53
▸ CYP4A11 Q02928 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TOP2A P11388 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ DGKA P23743 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL532277 0.86 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2NAMPTCYP1A2
SCHEMBL5694488 0.85 CYP4F2 (0.59) CYP4F2CYP4A11SMN1; SMN2NAMPTCYP1A2
SCHEMBL2498217 0.84 TOP2A (0.56) CYP4F2CYP4A11SMN1; SMN2NAMPTCYP1A2
SCHEMBL11302752 0.81 EPHX2 (0.48) KDM4EMAPTALOX5HSD17B10
SCHEMBL10408667 0.81 LIPG (0.47) SMN1; SMN2CYP3A4CYP2D6CYP2C9LMNA
SCHEMBL4557996 0.81 LIPG (0.51) SMN1; SMN2LMNA
SCHEMBL10409294 0.81 LIPG (0.51) SMN1; SMN2LMNA
SCHEMBL8530220 0.80 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2NAMPTCYP1A2
SCHEMBL10408672 0.79 LIPG (0.49) ALOX5
SCHEMBL15641739 0.79 HPGD (0.48) ALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 — — US disclosed
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