SCHEMBL1979073

SCHEMBL1979073

CC(C)C1CC(=O)c2cc(Br)ccc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.66
AR P10275 4/20 0.51
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 3/20 0.36
BCHE P06276 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL18013010 0.80 PBRM1 (1.00) PBRM1ARCYP19A1MAOAMAOB
SCHEMBL31015961 0.80 PBRM1 (1.00) PBRM1ARCYP19A1MAOAMAOB
SCHEMBL11111435 0.79 RORC (0.42) PBRM1ARKMT2ACYP3A4HIF1A
SCHEMBL15537195 0.78 PBRM1 (0.61) PBRM1ARCYP19A1MAOAMAOB
SCHEMBL6836628 0.78 MAOB (0.56) ARCYP19A1MAOBCYP3A4ABCB1
SCHEMBL12303262 0.78 PNMT (0.44) PBRM1ARMAPTLMNATDP1
SCHEMBL19188361 0.77 CNR1 (0.52) PBRM1ARKMT2ACYP3A4SMN1; SMN2
SCHEMBL11556142 0.76 PTGS2 (0.49) PBRM1ARKMT2AMEN1CYP2C9
SCHEMBL19271787 0.76 PBRM1 (0.66) PBRM1ARCYP19A1MAOAMAOB
SCHEMBL15537413 0.76 PBRM1 (0.66) PBRM1ARCYP19A1MAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3199530-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR Changzhou Yinsheng Pharmaceutical Co., Ltd. (CN) 2017-08-02 EP disclosed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed