SCHEMBL11533893

SCHEMBL11533893

CCCCc1ccccc1OP(=O)(S)Sc1ccccc1CCCC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGS2 P35354 5/20 0.36
ALOX5 P09917 1/20 0.35
PPARA Q07869 2/20 0.34
PPARG P37231 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
SCHEMBL10349365 0.99 THRA (0.38) THRATHRBPTGS2ALOX5PPARA
SCHEMBL8375499 0.95 THRA (0.45) THRATHRBPTGS2ALOX5PPARA
SCHEMBL8011394 0.94 THRA (0.44) THRATHRBPTGS2ALOX5PPARA
SCHEMBL11087732 0.94 THRA (0.44) THRATHRBPTGS2ALOX5PPARA
SCHEMBL159096 0.94 THRA (0.44) THRATHRBPTGS2ALOX5PPARA
SCHEMBL162802 0.94 THRA (0.44) THRATHRBPTGS2ALOX5PPARA
SCHEMBL4397512 0.87 THRA (0.41) THRATHRBPTGS2ALOX5PPARA
SCHEMBL258595 0.86 THRA (0.40) THRATHRBPTGS2ALOX5PPARA
SCHEMBL11465910 0.83 L3MBTL1 (0.38) PTGS2
SCHEMBL4405740 0.82 THRA (0.48) THRATHRBPTGS2ALOX5PPARA

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
US-4136042-A EXTREME PRESSURE LUBRICANTS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-23 US claimed