SCHEMBL9763048

SCHEMBL9763048

CN(C)C(=O)c1ccc(CCCCOCCCCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.47
THRB P10828 4/20 0.47
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
RARB P10826 1/20 0.39

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
SCHEMBL9763439 0.87 THRA (0.49) THRATHRBALDH1A1HPGDSPHK1
SCHEMBL10488145 0.87 THRA (0.49) THRATHRBALDH1A1HPGDSPHK1
SCHEMBL9764421 0.84 THRA (0.43) THRATHRBALDH1A1SPHK1
SCHEMBL1560685 0.80 RARB (0.53) THRATHRBALDH1A1CYP4F2CYP4A11
SCHEMBL20535215 0.80 ALDH1A1 (0.50) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL30663616 0.79 ALDH1A1 (0.49) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL9763639 0.79 RARB (0.50) THRATHRBALDH1A1CYP4F2CYP4A11
SCHEMBL9763088 0.79 HRH3 (0.42) THRATHRBALDH1A1SMN1; SMN2
SCHEMBL1561636 0.79 THRA (0.44) THRATHRBALDH1A1SPHK1CYP4F2
SCHEMBL9763407 0.78 CYP4A11 (0.60) THRATHRBALDH1A1HPGDSPHK1

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed