SCHEMBL10550761

SCHEMBL10550761

CCCCCCC1CCC(c2ccc(CCCCC)cc2)CO1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
SPHK1 Q9NYA1 15/20 0.58
SPHK2 Q9NRA0 10/20 0.51
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL10551438 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10556368 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10555969 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10553483 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10555924 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10551308 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10552770 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10548516 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10550943 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB
SCHEMBL10553177 1.00 ALOX5 (0.59) ALOX5SPHK1SPHK2THRATHRB

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
US-4818431-A ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-04 US disclosed
EP-0117476-B1 TETRAHYDROPYRANES MERCK PATENT GmbH (DE) 1987-09-16 EP disclosed
EP-0117476-A1 Tetrahydropyranes MERCK PATENT GmbH (DE) 1984-09-05 EP disclosed