SCHEMBL7563555

SCHEMBL7563555

CCCCCNC(C)(O)CC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 11/20 0.41
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
GBA1 P04062 4/20 0.34
CASP2 P42575 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL7567096 0.98 EPHX1 (0.44) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL9858722 0.98 EPHX1 (0.44) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL1176825 0.98 EPHX1 (0.44) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL11118158 0.98 EPHX1 (0.44) ALDH1A1TSHREPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL3692666 0.96 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL9719671 0.96 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
Water SCHEMBL8995196 0.96 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL11140223 0.96 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL5617921 0.96 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL7565770 0.93 TSHR (0.36) ALDH1A1TSHREPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339341-B Production system for (meth) acrylic acid ester 大阪有机化学工业株式会社 2018-02-13 CN disclosed
CN-105339341-A Production system for (meth) acrylic acid ester OSAKA ORGANIC CHEM IND 2016-02-17 CN disclosed
CN-104220413-A Method for producing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEM IND 2014-12-17 CN disclosed
EP-0906902-B1 A method for the production of an alkylamino (meth)acrylate and apparatus therefor. NIPPON CATALYTIC CHEM IND (JP) 2002-08-28 EP disclosed
US-6417392-B1 CATALYTIC ESTER INTERCHANGE OF ALKYL (METH)ACRYLATE AND ALKYLAMINO ALCOHOL; DISTILLATION OF ALKYL ALCOHOL BY-PRODUCT IN AZEOTROPIC MIXTURE WITH ALKYL (METH)ACRYLATE; PURIFICATION USING ION EXCHANGE RESIN NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-09 US disclosed
EP-0906902-A2 A method for the production of an alkylamino (meth)acrylate and apparatus therefor. NIPPON SHOKUBAI CO., LTD. (JP) 1999-04-07 EP disclosed