SCHEMBL7365310

SCHEMBL7365310

O=C(O)COc1ccc(C(=O)CBr)cc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
PKM P14618 1/20 0.47
PTGDR2 Q9Y5Y4 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3B P49841 1/20 0.44

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
SCHEMBL8556739 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPKM
SCHEMBL8557680 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPKM
SCHEMBL7407172 0.83 KMT2A (0.50) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL5057100 0.81 TSHR (0.57) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL8554466 0.81 MEN1 (0.62) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL2009931 0.80 ALDH1A1 (0.50) MEN1KMT2APTPN1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7796062 0.80 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL8356708 0.80 NPC1 (0.64) MEN1KMT2APTPN1POLBSMN1; SMN2
SCHEMBL8637573 0.79 KMT2A (0.60) MEN1KMT2AITGB3ITGA2BPTGDR2
Bromide SCHEMBL5787146 0.79 ALDH1A1 (0.49) MEN1KMT2APTPN1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed