SCHEMBL10845802

SCHEMBL10845802

CCCCCCCCCc1ccc(CCCCCC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.71
S1PR3 Q99500 3/20 0.71
S1PR2 O95136 2/20 0.71
ALDH1A1 P00352 3/20 0.70
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
GPR84 Q9NQS5 7/20 0.65
PPARG P37231 7/20 0.65
PPARD Q03181 7/20 0.65
PPARA Q07869 7/20 0.65
HDAC11 Q96DB2 5/20 0.65
TSHR P16473 4/20 0.65
PTPN1 P18031 3/20 0.65
TLR2 O60603 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
FABP4 P15090 2/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.65

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
SCHEMBL711608 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL8087476 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL11838563 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL11849076 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL25170021 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL25167617 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL879250 1.00 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL17693416 0.98 ALDH1A1 (0.72) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL6151349 0.96 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MAPT
SCHEMBL25173315 0.96 MAPT (0.69) S1PR1S1PR3S1PR2ALDH1A1MAPT

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-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed