SCHEMBL6529084

SCHEMBL6529084

CC(C)(Cc1cccc(CC(=O)N2CCCCC2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.51
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB1 P08588 2/20 0.44

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
SCHEMBL6509325 0.92 ADRB2 (0.48) ADRB2POLBMEN1KMT2AADRB1
SCHEMBL6508632 0.92 ADRB2 (0.49) ADRB2POLBADRB1
SCHEMBL6533340 0.92 ADRB2 (0.49) ADRB2POLBADRB1
SCHEMBL3913917 0.92 ADRB2 (0.49) ADRB2POLBMEN1KMT2AADRB1
SCHEMBL6506995 0.92 ADRB2 (0.47) ADRB2POLBADRB1
SCHEMBL6530357 0.89 ADRB2 (0.47) ADRB2POLBMEN1KMT2AADRB1
SCHEMBL6528628 0.88 ADRB2 (0.46) ADRB2ADRB1
SCHEMBL6508454 0.87 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL6503586 0.86 ADRB2 (0.48) ADRB2MEN1KMT2A
SCHEMBL6507412 0.85 KDM4E (0.49) ADRB2POLBMEN1KMT2A

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
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed