SCHEMBL14080487

SCHEMBL14080487

COC(=O)c1cc([C@@H](O)CNC(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
F2 P00734 1/20 0.48
F7 P08709 1/20 0.48
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
LMNA P02545 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
SCHEMBL14080472 1.00 ADRB2 (0.48) ADRB2ADRB1ADRB3F2F7
SCHEMBL4670569 1.00 ADRB2 (0.48) ADRB2ADRB1ADRB3F2F7
Cadaverine Tartrate SCHEMBL14080565 0.96 F2 (0.46) ADRB2ADRB1ADRB3F2F7
SCHEMBL11748288 0.92 ADRB2 (0.49) ADRB2ADRB1ADRB3F2F7
SCHEMBL8077438 0.91 FOLH1 (0.51) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11596019 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3F2F7
SCHEMBL965193 0.84 F2 (0.49) ADRB2ADRB1ADRB3F2F7
SCHEMBL965192 0.84 F2 (0.49) ADRB2ADRB1ADRB3F2F7
SCHEMBL7109940 0.82 F2 (0.47) ADRB2ADRB1ADRB3F2F7
Iodide SCHEMBL9574103 0.81 F2 (0.47) ADRB2ADRB1ADRB3F2F7

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-RE43844-E1 Process for preparing isomers of salbutamol CIPLA LIMITED (IN) 2012-12-04 US claimed