SCHEMBL352677

SCHEMBL352677

C=CCOCOC(=O)C(=C)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LIG1 P18858 1/20 0.37
CXCR5 P32302 1/20 0.37
MAPT P10636 2/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL351563 0.89 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRHSD17B10GAA
SCHEMBL352348 0.83 CYP3A4 (0.36) CYP3A4ALDH1A1TSHRHSD17B10GAA
SCHEMBL352597 0.81 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRHSD17B10GAA
SCHEMBL351043 0.80 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL21065586 0.79 TSHR (0.53) CYP3A4ALDH1A1TSHRHSD17B10GAA
SCHEMBL8238432 0.74 CYP3A4 (0.77) CYP3A4ALDH1A1TSHRHSD17B10GAA
SCHEMBL24816056 0.74 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRGAAKMT2A
SCHEMBL1426459 0.72 NPC1 (0.46) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL350915 0.71 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL350183 0.71 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRHSD17B10SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415751-B1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON CATALYTIC CHEM IND (JP) 2014-11-26 EP disclosed
US-8796492-B2 α-(unsaturated alkoxyalkyl) acrylate composition and process for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2014-08-05 US disclosed
EP-2415751-A1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF Nippon Shokubai Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120016095-A1 a-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2012-01-19 US disclosed