SCHEMBL9832181

SCHEMBL9832181

CCCCCCCCC=CCCCCCCCCN(C)C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.64
TERT O14746 3/20 0.52
PTPN1 P18031 3/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
CYP2C19 P33261 2/20 0.52
BLM P54132 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FABP4 P15090 2/20 0.52
FAAH O00519 2/20 0.52
KMT2A Q03164 2/20 0.52
TOP1 P11387 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9832172 1.00 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL12512134 0.89 EPHX2 (0.51) EPHX2PPARGPPARDPPARACYP1A2
SCHEMBL16658679 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL6949703 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL4601205 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL3440790 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL1902069 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL2180094 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL16658678 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1
SCHEMBL18660081 0.88 DNM1 (0.50) EPHX2PPARGPPARDPPARATDP1

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-0262255-B1 ACRYLOXYMETHYL SUBSTITUTED FATTY COMPOUNDS HENKEL CORPORATION (a Delaware corp.) (US) 1991-08-28 EP disclosed
EP-0262255-A1 Acryloxymethyl substituted fatty compounds HENKEL CORPORATION (a Delaware corp.) (US) 1988-04-06 EP disclosed
US-4626582-A Acryloxymethyl substituted fatty compounds HENKEL CORPORATION (US) 1986-12-02 US disclosed