SCHEMBL9763327

SCHEMBL9763327

O=C(O)c1ccc(CCOCCCCCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G4B P0C869 3/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.41

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
SCHEMBL9763639 0.94 RARB (0.50) RARBALDH1A1MEN1RARAMAPT
SCHEMBL1560685 0.92 RARB (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL11168897 0.88 ALDH1A1 (0.46) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28767948 0.87 CYP4A11 (0.47) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8775067 0.86 RARB (0.65) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14672531 0.86 RARB (0.65) RARBALDH1A1MEN1RARAMAPT
SCHEMBL27372528 0.85 ALDH1A1 (0.53) ALDH1A1PLA2G4BTP53TSHR
SCHEMBL27373602 0.85 ALDH1A1 (0.53) ALDH1A1PLA2G4BTP53TSHR
SCHEMBL9260821 0.84 RARB (0.64) RARBALDH1A1MEN1RARAMAPT
SCHEMBL10866701 0.82 RARB (0.63) RARBALDH1A1MEN1RARAMAPT

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