SCHEMBL10348013

SCHEMBL10348013

COc1ccc(CO[C@H]2[C@H](C)O[C@@H](OC)C[C@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
TACR1 P25103 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NAAA Q02083 1/20 0.38
GJB2 P29033 1/20 0.36
GJA1 P17302 1/20 0.36
KCNA5 P22460 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
APP P05067 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL10347983 0.85 KDM4E (0.39) IDO1AGXTTACR1MAPTKDM4E
SCHEMBL18542478 0.85 KCNA5 (0.42) TACR1MAPTKDM4EKCNA5
SCHEMBL18542482 0.85 KCNA5 (0.42) TACR1MAPTKDM4EKCNA5
SCHEMBL24597253 0.76 IDO1 (0.50) RENIDO1AGXTNAAAKCNA5
SCHEMBL18542512 0.76 BCHE (0.39) MAPT
SCHEMBL18542513 0.76 BCHE (0.39) MAPT
SCHEMBL17898753 0.74 IDO1 (0.42) IDO1AGXTTACR1MAPTKDM4E
SCHEMBL18542441 0.74 ALOX5 (0.43) RENMAPTKDM4EKMT2AMEN1
SCHEMBL18542440 0.74 ALOX5 (0.43) RENMAPTKDM4EKMT2AMEN1
SCHEMBL17005591 0.73 IDO1 (0.41) IDO1AGXTTACR1MAPTKDM4E

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
US-4962146-A 3-O-glycosyl 16-membered macrolide antibacterials and related derivatives SCHERING CORPORATION (US) 1990-10-09 US disclosed
EP-0362267-A1 3-O-GLYCOSYL 16-MEMBERED MACROLIDE ANTIBACTERIALS AND RELATED DERIVATIVES SCHERING CORPORATION (US) 1990-04-11 EP disclosed
WO-1988008426-A1 3-O-GLYCOSYL 16-MEMBERED MACROLIDE ANTIBACTERIALS AND RELATED DERIVATIVES SCHERING CORPORATION (US) 1988-11-03 WO disclosed