SCHEMBL9744467

SCHEMBL9744467

CCCCCCOc1ccc2cc(C#Cc3ccc(OCCCCC)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
THRA P10827 1/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
LTA4H P09960 3/20 0.47
PLA2G4B P0C869 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9743849 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9741994 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9742605 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9742442 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9743552 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9743193 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9742284 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9743091 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9743638 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H
SCHEMBL9743088 1.00 NR5A1 (0.53) NR5A1THRATSHRTP53LTA4H

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-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed