SCHEMBL10536554

SCHEMBL10536554

CCCCCCCCCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
RARB P10826 4/20 0.77
L3MBTL1 Q9Y468 1/20 0.74
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
PLA2G4B P0C869 6/20 0.67
PLA2G4A P47712 1/20 0.60
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
NR5A1 Q13285 1/20 0.57

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
SCHEMBL12243177 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL15177348 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9126821 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL7732601 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL7739031 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9000300 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9637119 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL903877 0.98 L3MBTL1 (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL7732272 0.98 L3MBTL1 (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL762326 0.95 GAA (0.86) GAARARBL3MBTL1TP53TSHR

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-4834907-A STABLE, HIGH RESPONSE RATE CHISSO CORPORATION (JP) 1989-05-30 US disclosed
EP-0164814-A2 Liquid crystalline ester compounds and mixtures thereof Chisso Corporation (JP) 1985-12-18 EP disclosed