SCHEMBL7082002

SCHEMBL7082002

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDPK1 O15530 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 3/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR52 Q9Y2T5 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
Bromomethane SCHEMBL7086772 0.87 NPC1 (0.41) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL14142347 0.87 PDPK1 (0.46) NPC1RAB9APDPK1MEN1KMT2A
SCHEMBL931372 0.87 CHRM2 (0.39) NPC1RAB9APDPK1MEN1KMT2A
SCHEMBL7085988 0.87 MEN1 (0.43) HPGDNPC1RAB9APDPK1MEN1
SCHEMBL7085430 0.87 NPC1 (0.43) HPGDNPC1RAB9AMEN1KMT2A
Bromomethane SCHEMBL118164 0.86 CHRM2 (0.39) NPC1RAB9AMEN1KMT2ACHRM3
Bromomethane SCHEMBL7081929 0.86 KMT2A (0.44) HPGDPDPK1MEN1KMT2ACHRM3
Bromomethane SCHEMBL14142659 0.85 CES2 (0.41) NPC1RAB9AMEN1KMT2ACHRM3
SCHEMBL7082997 0.85 CES2 (0.43) NPC1RAB9AMEN1KMT2ACHRM3
SCHEMBL7082177 0.81 PDPK1 (0.41) HPGDNPC1RAB9APDPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed