SCHEMBL10692048

SCHEMBL10692048

CCCCCCCCCOc1c(OCCCCCCCCC)c(OCCCCCCCCC)c(OCCCCCCCCC)c(OCCCCCCCCC)c1OCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.52
THRB P10828 3/20 0.47
TSHR P16473 3/20 0.47
THRA P10827 2/20 0.47
LPAR3 Q9UBY5 6/20 0.46
LPAR2 Q9HBW0 5/20 0.46
LPAR1 Q92633 2/20 0.46
GPR84 Q9NQS5 2/20 0.46
PLA2G2A P14555 1/20 0.45
TP53 P04637 1/20 0.45
LTA4H P09960 1/20 0.45
GBA1 P04062 1/20 0.44

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
SCHEMBL10690464 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10686819 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10690008 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10637949 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10694683 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10858978 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10693533 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10689444 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10689425 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3
SCHEMBL10690563 1.00 NR5A1 (0.52) NR5A1THRBTSHRTHRALPAR3

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-4734522-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-29 US disclosed
EP-0134576-A2 Carbocyclic six-membered ring compounds MERCK PATENT GmbH (DE) 1985-03-20 EP disclosed