SCHEMBL11239776

SCHEMBL11239776

CCCCCCCCCCCCCCCCN(C)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR2 O95136 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11587450 0.87 S1PR1 (0.57) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL846128 0.85 ALDH1A1 (0.57) FFAR1FFAR4S1PR1ALDH1A1LMNA
SCHEMBL11587329 0.85 ALDH1A1 (0.56) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7625204 0.84 THRA (0.60) FFAR1FFAR4THRATHRBS1PR1
SCHEMBL11226774 0.83 CYP4F2 (0.55) THRATHRB
SCHEMBL25466683 0.82 KCNH2 (0.54) THRATHRBALDH1A1LMNA
SCHEMBL25466694 0.82 KCNH2 (0.54) THRATHRBALDH1A1LMNA
SCHEMBL21523346 0.82 KCNH2 (0.54) THRATHRBALDH1A1LMNA
SCHEMBL25466682 0.82 KCNH2 (0.54) THRATHRBALDH1A1LMNA
SCHEMBL22321072 0.82 KCNH2 (0.54) THRATHRBALDH1A1LMNA

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-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 claimed
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