SCHEMBL10793545

SCHEMBL10793545

CCCCCCCCC=CCCCCCCCC(=O)N(C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
TERT O14746 3/20 0.58
PTPN1 P18031 3/20 0.58
PPARG P37231 3/20 0.58
PPARD Q03181 3/20 0.58
PPARA Q07869 3/20 0.58
CYP1A2 P05177 2/20 0.58
MAPT P10636 2/20 0.58
CYP2C19 P33261 2/20 0.58
BLM P54132 2/20 0.58
HSD17B10 Q99714 2/20 0.58
FABP4 P15090 2/20 0.58
FAAH O00519 2/20 0.58
KMT2A Q03164 2/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL10793538 1.00 EPHX2 (0.59) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL564586 0.91 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL540326 0.91 EPHX2 (0.64) EPHX2TERTPTPN1PPARGPPARD
Fluoride SCHEMBL17743568 0.89 EPHX2 (0.62) EPHX2TERTPTPN1PPARGPPARD
Hydrochloric Acid SCHEMBL565816 0.89 EPHX2 (0.62) EPHX2TERTPTPN1PPARGPPARD
Bromide SCHEMBL17743564 0.89 EPHX2 (0.62) EPHX2TERTPTPN1PPARGPPARD
Iodide SCHEMBL17743505 0.89 EPHX2 (0.62) EPHX2TERTPTPN1PPARGPPARD
Iodide SCHEMBL21048369 0.89 EPHX2 (0.62) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL8031507 0.89 ALDH1A1 (0.52) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL8031563 0.89 ALDH1A1 (0.52) PTPN1PPARGPPARDPPARAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208921-A2 Hydroformylation of olefinic compounds in the presence of soluble cobalt salt catalysts and an organic nitrile promoter HENKEL CORPORATION (a Delaware corp.) (US) 1987-01-21 EP disclosed
US-4612403-A Hydroformylation of olefinic compounds in the presence of a cobalt catalyst and an organic nitrile promoter HENKEL CORPORATION (US) 1986-09-16 US disclosed