SCHEMBL9195376

SCHEMBL9195376

CCCCCCCC1CCC(COc2ccc(-c3ccc(CCC)cc3)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
RARA P10276 2/20 0.43
RARG P13631 1/20 0.43
S1PR1 P21453 1/20 0.42
PPARD Q03181 4/20 0.39
FFAR1 O14842 3/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PPARA Q07869 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
MGLL Q99685 3/20 0.35

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
SCHEMBL9190417 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195852 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9190410 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL10435287 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195758 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195375 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL10435295 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195856 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195761 1.00 RARB (0.43) RARBRARARARGS1PR1PPARD
SCHEMBL9195333 0.99 S1PR1 (0.43) RARBRARARARGS1PR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394906-B1 Liquid crystalline composition MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed