SCHEMBL22208039

SCHEMBL22208039

CC(=O)N(Cc1ccc(OCC(=O)O)cc1)c1ccc2c(c1)OCC(Cl)O2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.46
▸ F10 P00742 8/20 0.46
▸ PRSS1 P07477 8/20 0.46
▸ PRSS2 P07478 8/20 0.46
▸ PRSS3 P35030 8/20 0.46
▸ ITGB3 P05106 4/20 0.46
▸ ITGA2B P08514 4/20 0.46
▸ TSPO P30536 4/20 0.41
▸ LTB4R2 Q9NPC1 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL22207981 0.91 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL22207974 0.75 FNIP1 (0.53) LTB4R2ALDH1A1HPGDNPSR1
SCHEMBL22374839 0.72 FNIP1 (0.52) ALDH1A1
SCHEMBL18426374 0.68 LTB4R2 (0.74) TSPOLTB4R2
SCHEMBL22207982 0.67 FNIP1 (0.50) ALDH1A1
SCHEMBL22375077 0.67 FNIP1 (0.50) ALDH1A1
SCHEMBL22375027 0.66 FNIP1 (0.49) ALDH1A1
SCHEMBL11562127 0.65 TSHR (0.54) TSPOALDH1A1HPGDNPSR1
SCHEMBL6800488 0.61 TSPO (0.70) TSPOLTB4R2ALDH1A1
SCHEMBL2729496 0.61 FKBP1A (0.63) ALDH1A1HPGD

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
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 — — EP disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 — — WO disclosed
Send feedback