SCHEMBL8548982

SCHEMBL8548982

COc1[c]c(Br)ccc1-c1ccccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HTR7 P34969 4/20 0.39
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL28926495 0.81 APP (0.43) APPCA12CA1CA2CA4
SCHEMBL455612 0.79 ALDH1A1 (0.38) CA4ALDH1A1PTPN1SMN1; SMN2RAB9A
SCHEMBL15641380 0.75 CA2 (0.35) APPCA12CA1CA2CA4
SCHEMBL301996 0.74 CA1 (0.71) APPCA12CA1CA2CA4
SCHEMBL29788337 0.74 CA1 (0.71) APPCA12CA1CA2CA4
SCHEMBL29429633 0.74 CA1 (0.71) APPCA12CA1CA2CA4
SCHEMBL10535184 0.73 APP (0.46) APPCA12CA1CA2CA4
SCHEMBL30599266 0.72 CA1 (0.67) APPCA12CA1CA2CA4
SCHEMBL29740506 0.72 CA1 (0.67) APPCA12CA1CA2CA4
SCHEMBL3643541 0.72 CA1 (0.67) APPCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP claimed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP claimed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO claimed
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP disclosed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP disclosed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO disclosed