SCHEMBL17787262

SCHEMBL17787262

OCCOc1ccc(C(c2ccc(OCO)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1I2 O75469 1/20 0.42
GAA P10253 1/20 0.40
PDK2 Q15119 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 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
SCHEMBL4943546 0.95 CYP3A4 (0.54) CYP3A4SMN1; SMN2ALDH1A1RECQLESR1
SCHEMBL26290184 0.91 ESR1 (0.50) CYP3A4SMN1; SMN2ALDH1A1ESR1ESR2
SCHEMBL17787403 0.87 CYP3A4 (0.51) CYP3A4SMN1; SMN2ALDH1A1RECQLESR1
SCHEMBL3004341 0.86 ESR1 (0.45) CYP3A4SMN1; SMN2ALDH1A1RECQLESR1
SCHEMBL12214816 0.84 CYP3A4 (0.45) CYP3A4SMN1; SMN2ALDH1A1RECQLESR1
SCHEMBL15890437 0.81 ALDH1A1 (0.65) CYP3A4SMN1; SMN2ALDH1A1RECQLNR1I2
SCHEMBL10606350 0.80 CYP3A4 (0.62) CYP3A4SMN1; SMN2ALDH1A1RECQLNR1I2
SCHEMBL584253 0.80 CYP3A4 (0.58) CYP3A4SMN1; SMN2ALDH1A1RECQLNR1I2
SCHEMBL5707301 0.79 SMN1; SMN2 (0.62) CYP3A4SMN1; SMN2ALDH1A1RECQLNR1I2
SCHEMBL15890450 0.79 SMN1; SMN2 (0.62) CYP3A4SMN1; SMN2ALDH1A1RECQLNR1I2

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 2 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-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