SCHEMBL8662589

SCHEMBL8662589

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2CC)SCCC3(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.39
CYP3A4 P08684 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP4F11 Q9HBI6 1/20 0.36
CYP4F12 Q9HCS2 1/20 0.36
FFAR1 O14842 8/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALOX5 P09917 1/20 0.32
CHRM2 P08172 1/20 0.32
S1PR1 P21453 1/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR65 Q8IYL9 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
SCHEMBL8670902 0.93 CYP4Z1 (0.39) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL8674175 0.89 CYP3A4 (0.46) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL8668889 0.89 CYP4F2 (0.36) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL8672295 0.88 FDFT1 (0.40) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL7653077 0.88 CYP3A4 (0.42) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL8659941 0.86 FFAR1 (0.41) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL7657889 0.86 CYP3A4 (0.39) CYP3A4RARARARBRARGKMT2A
SCHEMBL7655963 0.85 CYP4F2 (0.33) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL7651219 0.84 CYP4F2 (0.34) CYP4Z1CYP3A4RARARARBRARG
SCHEMBL8676360 0.84 FDFT1 (0.36) CYP4Z1CYP3A4RARARARBRARG

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
US-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed