SCHEMBL7565770

SCHEMBL7565770

CCCCNC(C)(O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
EPHX1 P07099 5/20 0.34
ALOX15 P16050 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.31
MMP2 P08253 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL7563555 0.93 ALDH1A1 (0.42) TSHREPHX1CA1CA2ADH1B
SCHEMBL11118158 0.91 EPHX1 (0.44) TSHREPHX1CA1CA2ADH1B
SCHEMBL9858722 0.91 EPHX1 (0.44) TSHREPHX1CA1CA2ADH1B
SCHEMBL7567096 0.91 EPHX1 (0.44) TSHREPHX1CA1CA2ADH1B
SCHEMBL1176825 0.91 EPHX1 (0.44) TSHREPHX1CA1CA2ADH1B
Hydrochloric Acid SCHEMBL11140223 0.89 EPHX1 (0.43) TSHREPHX1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL3692666 0.89 EPHX1 (0.43) TSHREPHX1ADH1BADH1CADH1A
Water SCHEMBL8995196 0.89 EPHX1 (0.43) TSHREPHX1CA1CA2ADH1B
Hydrochloric Acid SCHEMBL5617921 0.89 EPHX1 (0.43) TSHREPHX1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL9719671 0.89 EPHX1 (0.43) TSHREPHX1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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