SCHEMBL17787261

SCHEMBL17787261

OCCOc1ccc(Sc2ccc(OCO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
NR1I2 O75469 1/20 0.47
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
CYP3A4 P08684 3/20 0.43
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APP P05067 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALOX5AP P20292 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL890770 0.94 ALDH1A1 (0.58) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL15890437 0.87 ALDH1A1 (0.65) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL10878453 0.86 ALDH1A1 (0.67) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL15681788 0.85 NR1I2 (0.49) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL17787395 0.85 PTGIR (0.50) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL10877572 0.85 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL14901530 0.85 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL6903665 0.83 ALDH1A1 (0.45) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL1127571 0.83 ALDH1A1 (0.47) ALDH1A1RECQLNR1I2GAASMN1; SMN2
SCHEMBL15890440 0.83 ALDH1A1 (0.60) ALDH1A1RECQLNR1I2GAASMN1; SMN2

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-20170174833-A1 HIGH-FLUIDITY POLYCARBONATE COPOLYMER, PROCESS FOR PRODUCTION HIGHLY POLYMERIZED AROMATIC POLYCARBONATE RESIN AND AROMATIC POLYCARBONATE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-06-22 US disclosed
US-20160264726-A1 HIGH-FLUIDITY POLYCARBONATE COPOLYMER, PROCESS FOR PRODUCTION HIGHLY POLYMERIZED AROMATIC POLYCARBONATE RESIN AND AROMATIC POLYCARBONATE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-15 US disclosed
US-9353216-B2 High-fluidity polycarbonate copolymer, process for production highly polymerized aromatic polycarbonate resin and aromatic polycarbonate compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-05-31 US disclosed