SCHEMBL7400812

SCHEMBL7400812

O=C(O)COc1cc(OCC(=O)O)cc(C(=O)CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
LMNA P02545 2/20 0.46
GSK3B P49841 3/20 0.44
PTPN1 P18031 3/20 0.44
PTPN7 P35236 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
PTPRB P23467 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.40
CD69 Q07108 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL28645298 0.82 ALOX15 (0.65) ALOX15LMNAPTPN7HSD17B10HPGD
SCHEMBL458062 0.81 GSK3B (0.59) ALOX15GSK3BPTPN1PTPN7ALDH1A1
SCHEMBL8555132 0.81 ALOX15 (0.47) ALOX15LMNAPTPN7HSD17B10HPGD
SCHEMBL7406686 0.81 GSK3B (0.46) LMNAGSK3BHSD17B10HPGDALDH1A1
SCHEMBL5050018 0.79 GSK3B (0.47) LMNAGSK3BPTPN1ALDH1A1TSHR
SCHEMBL6045418 0.76 ALOX15 (0.54) ALOX15LMNAPTPN7HSD17B10HPGD
SCHEMBL2451027 0.76 MEN1 (0.71) LMNAGSK3BPTPN1
SCHEMBL9970986 0.75 PLA2G2A (0.58) GSK3BTSHRTHRATHRB
SCHEMBL333513 0.75 GSK3B (0.66) GSK3BPTPN1ALDH1A1SMN1; SMN2
SCHEMBL5050000 0.74 GSK3B (0.54) GSK3BALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed