SCHEMBL730210

SCHEMBL730210

C=CC(=O)NC(NC(=O)C=C)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TGM2 P21980 4/20 0.52
TSHR P16473 1/20 0.43
AKT1 P31749 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNN4 O15554 1/20 0.38
EGFR P00533 2/20 0.38
CYP1A2 P05177 1/20 0.38
GSTO1 P78417 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL6908098 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL28550144 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL5396951 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL10594826 0.78 CYP2C19 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL30758297 0.78 CYP2C19 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL7868749 0.77 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL9159682 0.76 KCNN4 (0.45) ALDH1A1CYP3A4CYP2C19TSHRKMT2A
SCHEMBL6447132 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL9836258 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL28264187 0.74 CYP2C19 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063210-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS SOLVAY SA (BE) 2016-09-07 EP disclosed
US-9388282-B2 Method of thiophenol removal from poly(arylene sulfide) polymer compositions SOLVAY SPECIALTY POLYMERS USA, LLC. (US) 2016-07-12 US disclosed
WO-2015065906-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-05-07 WO disclosed
US-20150119550-A1 Method of Thiophenol Removal from Poly(Arylene Sulfide) Polymer Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-04-30 US disclosed
US-8889802-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2014-11-18 US disclosed
US-20120130040-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2012-05-24 US disclosed
EP-2448990-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME Polymeright Inc. (US) 2012-05-09 EP disclosed
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO disclosed
US-7585932-B2 Polymer compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-09-08 US disclosed
US-20070055033-A1 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2007-03-08 US disclosed