SCHEMBL9327902

SCHEMBL9327902

CCCC/C(=C/C(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
APEX1 P27695 2/20 0.36
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CA1 P00915 2/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.33
DNM1 Q05193 3/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL7772114 1.00 CES1 (0.38) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL7949525 0.94 POLB (0.42) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL29220173 0.94 POLB (0.42) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL6877098 0.88 HCAR2 (0.37) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL7772525 0.88 HCAR2 (0.37) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL555291 0.85 APEX1 (0.39) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL22263596 0.84 TSHR (0.36) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL280474 0.83 TSHR (0.56) ALDH1A1KEAP1NFE2L2HCAR2TSHR
SCHEMBL11127755 0.82 POLB (0.39) CES1CES2ALDH1A1POLBPOLA1
SCHEMBL1034581 0.82 CES1 (0.42) CES1CES2ALDH1A1POLBPOLA1

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-0242235-B1 Composite acrylic resin particles NIPPON PAINT CO LTD (JP) 1994-03-16 EP disclosed
US-4833208-A Composite acrylic resin particles NIPPON PAINT CO., LTD. (JP) 1989-05-23 US disclosed
EP-0242235-A2 Composite acrylic resin particles Nippon Paint Co., Ltd. (JP) 1987-10-21 EP disclosed