SCHEMBL8668617

SCHEMBL8668617

CCOC(=O)CCc1ccc(C#Cc2cc3c(cc2C)OCCC3(CC)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
CYP4Z1 Q86W10 1/20 0.34
FDFT1 P37268 1/20 0.33

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
SCHEMBL8667563 0.94 CYP4Z1 (0.37) FFAR1CYP4F2CYP4A11CHRM2S1PR1
SCHEMBL8673909 0.92 CYP4F2 (0.39) FFAR1CYP4F2CYP4A11CHRM2S1PR1
SCHEMBL8846333 0.91 FDFT1 (0.40) FFAR1CYP4Z1FDFT1
SCHEMBL8673367 0.87 CYP4F2 (0.35) FFAR1CYP4F2CYP4A11CHRM2S1PR1
SCHEMBL7653651 0.87 CYP3A4 (0.35) FFAR1CYP4F2CYP4A11FFAR4CYP4Z1
SCHEMBL8675114 0.86 CYP4Z1 (0.37) FFAR1CYP4F2CYP4A11CHRM2S1PR1
SCHEMBL7660646 0.84 FFAR1 (0.40) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL8668822 0.82 CYP4Z1 (0.39) FFAR1CYP4F2CYP4A11CYP4Z1
SCHEMBL8661172 0.82 FDFT1 (0.39) FFAR1CYP4Z1FDFT1
SCHEMBL7649079 0.81 TBXAS1 (0.31) CYP4F2CYP4A11

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-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed