SCHEMBL10690838

SCHEMBL10690838

COc1ccc(CCC(=O)CP(=O)(O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.68
FFAR1 O14842 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
FKBP1A P62942 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46

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
SCHEMBL7329940 0.84 F2RL1 (0.85) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL11564486 0.83 HTT (0.54) F2RL1ALDH1A1POLBANPEPERAP2
SCHEMBL30354750 0.82 F2RL1 (0.60) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL9404116 0.81 F2RL1 (1.00) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL9680559 0.80 ALOX5 (0.55) ALDH1A1ALOX5
SCHEMBL3994134 0.80 F2RL1 (0.77) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL24800806 0.78 F2RL1 (0.74) F2RL1FFAR1ALDH1A1NPC1RAB9A
SCHEMBL9216095 0.78 F2RL1 (0.74) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL1295548 0.78 F2RL1 (0.74) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL9096140 0.78 F2RL1 (0.74) F2RL1FFAR1ALDH1A1POLBNFKB1

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
EP-0260655-A2 Unsaturated fatty acid derivatives and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-03-23 EP disclosed