SCHEMBL9715713

SCHEMBL9715713

C=C(c1ccccc1)c1cccc(CCC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
PTPN1 P18031 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
AKT1 P31749 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1745739 0.87 FFAR1 (0.55) RAB9AALDH1A1KDM4ELMNA
SCHEMBL31455819 0.85 CYP4F2 (0.54) SIRT2CYP4F2CYP4A11RAB9AALDH1A1
SCHEMBL3530979 0.85 CYP4F2 (0.54) SIRT2CYP4F2CYP4A11RAB9AALDH1A1
SCHEMBL27399582 0.82 CYP4F2 (0.54) SIRT2CYP4F2CYP4A11RAB9AALDH1A1
SCHEMBL9715728 0.82 L3MBTL1 (0.43) CYP4F2CYP4A11L3MBTL1TDP1RAB9A
SCHEMBL22958548 0.82 CYP4F2 (0.48) SIRT2CYP4F2CYP4A11PTPN1L3MBTL1
SCHEMBL63816 0.79 SLC7A5 (0.52) SIRT2CYP4F2CYP4A11RAB9AALDH1A1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.79 TDP1 (0.68) TDP1RAB9AALDH1A1CA12CA7
SCHEMBL9456168 0.79 PTPN1 (0.55) SIRT2PTPN1TDP1ALDH1A1CA12
SCHEMBL3930497 0.78 CYP4F2 (0.50) SIRT2CYP4F2CYP4A11PTPN1RAB9A

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-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed