SCHEMBL9246281

SCHEMBL9246281

C=CCCCOC(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
ABCC4 O15439 1/20 0.43
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
LPAR3 Q9UBY5 2/20 0.38
LMNA P02545 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 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
SCHEMBL9246275 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL29220321 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL44778 0.82
SCHEMBL29220317 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTABCC4TSHR
Bicarbonate SCHEMBL27518086 0.80 TSHR (0.55) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL8663433 0.80 LPAR3 (0.53) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL766967 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL5248589 0.79 TSHR (0.58) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL29220299 0.79 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTABCC4TSHR
SCHEMBL3109285 0.78 TSHR (0.43) ALDH1A1TSHRCYP3A4HCAR2

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
US-5442096-A Compound contains a alpha-ketoester and a polymerizable double bond NIPPON PAINT CO., LTD. (JP) 1995-08-15 US disclosed
EP-0621258-A1 Polymerisable compound and polymer therefrom Nippon Paint Co., Ltd. (JP) 1994-10-26 EP disclosed
US-5248749-A Adhesives and coatings NIPPON PAINT CO., LTD. (JP) 1993-09-28 US disclosed
US-5169896-A Curable mixture of compound having at least two hydroxyl group and homo- or copolymer with alpha-ketoester group and double bond; esterification; coatings, adhesives, plastics NIPPON PAINT CO., LTD. (JP) 1992-12-08 US disclosed
US-5117044-A Unsaturated ester NIPPON PAINT CO., LTD. (JP) 1992-05-26 US disclosed
EP-0378429-A2 Polymerisable compound and polymer therefrom NIPPON PAINT CO., LTD. (JP) 1990-07-18 EP disclosed