SCHEMBL9710331

SCHEMBL9710331

C#Cc1ccc2cc(OCCCCCCCCCC)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.51
▸ THRA P10827 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LTA4H P09960 3/20 0.46
▸ PLA2G4B P0C869 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9710272 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LTA4H
SCHEMBL9710470 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LTA4H
SCHEMBL9710362 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LTA4H
SCHEMBL7329109 1.00 NR5A1 (0.51) NR5A1THRATSHRTP53LTA4H
SCHEMBL23865273 0.98 NR5A1 (0.49) NR5A1THRATSHRTP53LTA4H
SCHEMBL946779 0.87 NR5A1 (0.61) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL948700 0.87 NR5A1 (0.61) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL9706419 0.87 NR5A1 (0.61) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL2832393 0.87 NR5A1 (0.61) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL4748828 0.87 NR5A1 (0.61) NR5A1TSHRTP53LTA4HPLA2G4B

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-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 — — EP disclosed
Send feedback