SCHEMBL9847768

SCHEMBL9847768

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(Oc3ccc(C#N)c(C#N)c3)c(C(C)(C)C)c2)cc(C(C)(C)C)c1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.43
MAOB P27338 3/20 0.42
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL9847752 0.93 AR (0.49) ARMAOBCYP19A1MAOA
SCHEMBL20106821 0.81 AR (0.52) ARMAOBCYP19A1MAOA
SCHEMBL9847772 0.79 AR (0.51) ARCYP19A1
SCHEMBL8629666 0.78 AR (0.42) ARCYP19A1
SCHEMBL9847760 0.77 AR (0.50) ARCYP19A1
SCHEMBL10877056 0.75 MAOB (0.53) ARMAOBCYP19A1MAOA
SCHEMBL8623452 0.74 AR (0.53) ARMAOBCYP19A1
SCHEMBL9847755 0.74 AR (0.48) ARCYP19A1
SCHEMBL7269840 0.72 HPGD (0.50) ARMAOBCYP19A1MAOA
SCHEMBL4581525 0.72 CYP19A1 (0.65) ARMAOBCYP19A1MAOA

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
EP-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed