SCHEMBL6977750

SCHEMBL6977750

COC(=O)c1cc(Br)cc(OCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
HPGD P15428 1/20 0.44
PTPRB P23467 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL8271753 0.89 ATM (0.51) HPGDPTPRBHSD17B10LMNAMAPT
SCHEMBL16898159 0.88 NOTUM (0.49) NOTUMLMNAMAPTRAB9ANPC1
SCHEMBL7875608 0.86 CA12 (0.47) HPGDPTPRBHSD17B10LMNAMAPT
SCHEMBL16397245 0.85 NOTUM (0.53) NOTUMLMNAMAPTRAB9ANPC1
SCHEMBL16898021 0.83 NOTUM (0.50) NOTUMLMNAMAPTRAB9ANPC1
SCHEMBL4585878 0.83 CA12 (0.59) HPGDPTPRBHSD17B10LMNAMAPT
SCHEMBL6973427 0.81 NOTUM (0.47) NOTUMHPGDLMNAMAPTRAB9A
SCHEMBL16493137 0.81 NOTUM (0.49) NOTUMHSD17B10LMNAMAPTRAB9A
SCHEMBL30045094 0.81 NOTUM (0.49) NOTUMHSD17B10LMNAMAPTRAB9A
SCHEMBL17823865 0.81 MAPT (0.51) NOTUMLMNAMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed