SCHEMBL617796

SCHEMBL617796

C=CCN(CC=C)COC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 3/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.33
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL5321857 0.82 TSHR (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL618085 0.79 KDM4E (0.46) ALDH1A1LMNAHSD17B10KMT2ASMN1; SMN2
SCHEMBL619143 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGD
SCHEMBL17401270 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10SMN1; SMN2HPGD
SCHEMBL618746 0.76 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL29163492 0.75 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
Acetic Acid SCHEMBL4551735 0.74 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL17401254 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SMN1; SMN2HPGD
SCHEMBL610310 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10SMN1; SMN2HPGD
SCHEMBL7032684 0.71 ALDH1A1 (0.35) ALDH1A1HSD17B10KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 US disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed