SCHEMBL29181736

SCHEMBL29181736

O=C1CCCc2cc(Br)c(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
PRKCI P41743 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B1 P14061 3/20 0.47
CYP2A6 P11509 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
PBRM1 Q86U86 1/20 0.39
GRM5 P41594 1/20 0.38
EP300 Q09472 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 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
SCHEMBL30811403 1.00 MAOA (0.53) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL1562728 0.89 PBRM1 (0.50) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL423181 0.84 MAOA (0.60) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL8615975 0.84 MEN1 (0.55) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL2304058 0.81 PBRM1 (0.50) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL9620738 0.80 MAOA (0.55) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL18830558 0.78 MEN1 (0.57) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL10102252 0.78 MAOA (0.53) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL23782883 0.78 MEN1 (0.49) MAOAMAOBPRKCINPSR1MEN1
SCHEMBL21772243 0.78 MEN1 (0.49) MAOAMAOBPRKCINPSR1MEN1

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
CN-117487150-A Polycarbonate, preparation method and application thereof 万华化学集团股份有限公司 2024-02-02 CN disclosed