SCHEMBL9504751

SCHEMBL9504751

CCCCCCCCCCCCc1ccccc1C=CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
PPARA Q07869 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL9504746 1.00 THRA (0.51) THRATHRBPPARATRPV1LIPG
SCHEMBL7867305 1.00 THRA (0.51) THRATHRBPPARATRPV1LIPG
SCHEMBL3375977 0.89 THRA (0.49) THRATHRBPPARALIPGPTGER4
SCHEMBL9560107 0.88 THRA (0.50) THRATHRBPPARALIPGPTGER4
SCHEMBL9560108 0.88 THRA (0.50) THRATHRBPPARALIPGPTGER4
SCHEMBL7867315 0.88 THRA (0.50) THRATHRBPPARALIPGPTGER4
SCHEMBL24611344 0.86 THRA (0.48) THRATHRBLIPGPTGER4PTGER3
SCHEMBL9559967 0.85 THRA (0.48) THRATHRBPPARALIPGPTGER4
SCHEMBL9559968 0.85 THRA (0.48) THRATHRBPPARALIPGPTGER4
SCHEMBL489896 0.84 PTGER3 (0.54) THRATHRBPPARALIPGPTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed