SCHEMBL7063765

SCHEMBL7063765

Oc1ccc2ccc(O)c(CC3CO3)c2c1CC1CO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
AOC3 Q16853 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
SCHEMBL31504058 0.86 PTPN1 (0.35) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL9778183 0.86 PTPN1 (0.35) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL27434539 0.78 ALDH1A1 (0.38) HSD17B10KDM4EMAPTALDH1A1PTPN1
SCHEMBL562766 0.77 PTPN1 (0.31) PTPN1ALOX5AOC3
Ammonia Solution, Strong SCHEMBL29162669 0.76 TYR (0.30) PTPN1ALOX5
SCHEMBL142162 0.76 TYR (0.33) PTPN1ALOX5
SCHEMBL2170950 0.76 HDAC3 (0.31) KDM4EMAPTGAAKMT2APTPN1
SCHEMBL7064502 0.75 MEN1 (0.31) CYP1A2CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL17065920 0.73
SCHEMBL22689633 0.73 ESR1 (0.36) CYP1A2HSD17B10ALDH1A1

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-0866083-B1 POLYCARBONATE RESIN, CROSSLINKED POLYCARBONATE RESIN AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR IDEMITSU KOSAN CO (JP) 2003-05-28 EP disclosed
US-6043334-A USEFUL FOR PRODUCTION OF CROSSLINKED POLYCARBONATE RESINS; ELECTROPHOTOGRAPHIC PHOTORECEPTORS, WHICH HAVE PHOTOSENSITIVE LAYER CONTAINING CROSSLINKED POLYCARBONATE RESINS IDEMITSU KOSAN CO., LTD. (JP) 2000-03-28 US disclosed
EP-0866083-A1 POLYCARBONATE RESIN, CROSSLINKED POLYCARBONATE RESIN AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-23 EP disclosed