SCHEMBL9818299

SCHEMBL9818299

O=[C]Cc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PNMT P11086 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AHR P35869 4/20 0.32
CYP1B1 Q16678 1/20 0.31
TSHR P16473 2/20 0.31
CASP1 P29466 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL10943673 0.81 HSD17B10 (0.44) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL4176549 0.77 TSHR (0.42) CYP3A4PNMTTAAR1TSHRIDO1
SCHEMBL97464 0.76 PNMT (0.54) ALDH1A1PNMTTAAR1TSHRIDO1
SCHEMBL2869225 0.75 KDM4E (0.42) ALDH1A1CYP3A4HPGDHSD17B10CRHBP
SCHEMBL9818210 0.73 ALDH1A1 (0.33) ALDH1A1CYP3A4HPGDHSD17B10CRHBP
SCHEMBL8943857 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDPNMTTAAR1
SCHEMBL1529004 0.72 CA2 (0.56) CYP3A4HSD17B10TSHR
SCHEMBL5253367 0.70 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10CRHBP
SCHEMBL11199932 0.70 IGF1R (0.33) ALDH1A1
SCHEMBL5544644 0.70 CYP3A4 (0.37) ALDH1A1CYP3A4HPGDHSD17B10CRHBP

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
EP-0126635-B1 NOVEL OXINDOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed