SCHEMBL11226419

SCHEMBL11226419

CCCCCCCCCCCCCCNc1ccc(CCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.59
FFAR1 O14842 9/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR2 O95136 1/20 0.56
FFAR4 Q5NUL3 3/20 0.55
HPGD P15428 1/20 0.52

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
SCHEMBL11226388 1.00 S1PR1 (0.59) S1PR1FFAR1S1PR3S1PR2FFAR4
SCHEMBL11239781 1.00 S1PR1 (0.59) S1PR1FFAR1S1PR3S1PR2FFAR4
SCHEMBL7565327 1.00 S1PR1 (0.59) S1PR1FFAR1S1PR3S1PR2FFAR4
SCHEMBL11243832 1.00 S1PR1 (0.59) S1PR1FFAR1S1PR3S1PR2FFAR4
SCHEMBL11243338 1.00 S1PR1 (0.59) S1PR1FFAR1S1PR3S1PR2FFAR4
Bromide SCHEMBL11476775 0.98 S1PR1 (0.58) S1PR1FFAR1S1PR3S1PR2FFAR4
Bromide SCHEMBL11482049 0.98 S1PR1 (0.58) S1PR1FFAR1S1PR3S1PR2FFAR4
Hydrochloric Acid SCHEMBL11226161 0.98 S1PR1 (0.58) S1PR1FFAR1S1PR3S1PR2FFAR4
SCHEMBL11239458 0.93 S1PR1 (0.62) S1PR1FFAR1S1PR3S1PR2HPGD
SCHEMBL11229424 0.93 S1PR1 (0.62) S1PR1FFAR1S1PR3S1PR2HPGD

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