SCHEMBL731190

SCHEMBL731190

C=C(C)C(=O)NCc1ccc(CNC(=O)C(=C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TPSAB1 Q15661 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3869761 0.92 KDM4E (0.53) KMT2AHTTHDAC1HDAC6ALDH1A1
SCHEMBL5024307 0.92 SMN1; SMN2 (0.56) KMT2AALDH1A1MEN1RAB9ASMN1; SMN2
SCHEMBL19215206 0.91 CYP4F2 (0.47) KMT2AHTTHDAC1HDAC6ALDH1A1
SCHEMBL202718 0.91 MEN1 (0.61) KMT2AALDH1A1MEN1RAB9APOLB
SCHEMBL6415716 0.91 EPHX2 (0.50) KMT2AHTTHDAC1HDAC6ALDH1A1
SCHEMBL183463 0.90 ALDH1A1 (0.59) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL16622755 0.89 TP53 (0.44) KMT2AHTTHDAC1HDAC6ALDH1A1
SCHEMBL8478091 0.88 ALDH1A1 (0.64) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL219055 0.88 ALDH1A1 (0.55) KMT2AHTTHDAC1HDAC6ALDH1A1
SCHEMBL1027588 0.87 HTT (0.66) HTTALDH1A1MAPTRAB9ASMN1; 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 10 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
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
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