SCHEMBL17787403

SCHEMBL17787403

COc1ccc(C(c2ccc(OCCO)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APP P05067 4/20 0.45
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HSD11B1 P28845 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4943546 0.92 CYP3A4 (0.54) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1
SCHEMBL17787262 0.87 CYP3A4 (0.50) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1
SCHEMBL3004341 0.83 ESR1 (0.45) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL2616610 0.82 CA1 (0.52) CYP3A4ALDH1A1RECQLMAPTHSD11B1
SCHEMBL10112762 0.82 CA1 (0.52) CYP3A4ALDH1A1RECQLMAPTHSD11B1
SCHEMBL77535 0.82 ALDH1A1 (0.60) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1
SCHEMBL15892040 0.81 SMN1; SMN2 (0.60) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1
SCHEMBL26302510 0.81 NQO1 (0.50) SMN1; SMN2ALDH1A1MAPTHSD11B1ESR1
SCHEMBL12214816 0.81 CYP3A4 (0.45) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL22057964 0.80 CYP3A4 (0.58) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1

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