SCHEMBL7399586

SCHEMBL7399586

Cc1cc(OCC(=O)O)ccc1C(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.59
HTT P42858 1/20 0.52
PPARD Q03181 3/20 0.48
PTPN7 P35236 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 2/20 0.47
PTPRB P23467 1/20 0.47
LMNA P02545 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 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
SCHEMBL7333337 0.85 HPGD (0.50) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7404901 0.83 MCL1 (0.64) MCL1HTTPPARDPTPN7HPGD
SCHEMBL7396688 0.82 LMNA (0.51) MCL1HTTPPARDPTPN7KDM4E
SCHEMBL1437602 0.81 MAOB (0.58) ALDH1A1SMN1; SMN2NR4A1
SCHEMBL6635996 0.81 HTT (0.67) HTTHPGDALDH1A1HSD17B10LMNA
SCHEMBL5262015 0.81 THRA (0.51) MCL1HTTPPARDKDM4ETHRA
SCHEMBL9457798 0.79 SRD5A2 (0.52) HTTHPGD
SCHEMBL585812 0.79 MCL1 (0.72) MCL1PTPN7HPGDKDM4EALDH1A1
SCHEMBL30025591 0.79 MCL1 (0.72) MCL1PTPN7HPGDKDM4EALDH1A1
SCHEMBL3205933 0.78 MCL1 (0.66) MCL1PTPN7HPGDKDM4EALDH1A1

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