SCHEMBL353013

SCHEMBL353013

C=CCOCOC(=O)C(=C)C1CCCO1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
NOS2 P35228 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL542156 0.96 ALDH1A1 (0.33) ALDH1A1NPC1RAB9A
SCHEMBL351189 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL350046 0.80 LMNA (0.38) ALDH1A1HPGDTP53POLBLMNA
SCHEMBL352818 0.79 ALDH1A1 (0.35) ALDH1A1NPC1RAB9A
SCHEMBL352621 0.78 ALDH1A1 (0.37) ALDH1A1NPC1RAB9A
SCHEMBL29121630 0.77 HPGD (0.49) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL2311862 0.76 ALDH1A1 (0.35) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL17361179 0.75 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL17361198 0.75 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL7162585 0.75 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ATP53

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