SCHEMBL9700677

SCHEMBL9700677

O=C(O)c1ccc(C(F)(F)F)c(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.54
SELP P16109 1/20 0.54
ALB P02768 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DAO P14920 1/20 0.42
ASPH Q12797 1/20 0.42
CES2 O00748 2/20 0.41
LDHA P00338 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM1 Q13255 1/20 0.40
MMP2 P08253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CLCN2 P51788 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL22831706 0.86 SELL (0.48) SELLSELPALBALDH1A1HPGD
SCHEMBL2320900 0.84 ALB (0.46) SELLSELPALBALDH1A1HPGD
SCHEMBL22075506 0.84 SELL (0.45) SELLSELPALBALDH1A1HPGD
SCHEMBL9274274 0.82 ALDH1A1 (0.47) SELLSELPALBALDH1A1HPGD
SCHEMBL1508508 0.82 ALB (0.57) SELLSELPALBALDH1A1HPGD
SCHEMBL31120746 0.82 ALB (0.57) SELLSELPALBALDH1A1HPGD
SCHEMBL19193174 0.79 SELL (0.54) SELLSELPALBALDH1A1HPGD
SCHEMBL176255 0.79 SELL (0.79) SELLSELPALBALDH1A1HPGD
SCHEMBL29860525 0.79 SELL (0.79) SELLSELPALBALDH1A1HPGD
SCHEMBL5513387 0.79 KIF11 (0.43) ALDH1A1HPGDDAOCES2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115103907-A Compositions and methods for enhancing immune activity 金橘生物科技公司 2022-09-23 CN disclosed
US-5166060-A Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid CELGENE CORPORATION (US) 1992-11-24 US disclosed
EP-0390102-A2 Process for the preparation of pyridine-2,3-dicarboxylic acids CELGENE CORPORATION (US) 1990-10-03 EP disclosed