SCHEMBL7606587

SCHEMBL7606587

COC(=O)Cc1ccc(O)cc1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.54
ALOX5 P09917 1/20 0.53
EGFR P00533 2/20 0.49
HSP90AB1 P08238 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B3 P37058 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CAMK2A Q9UQM7 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
SCHEMBL24051897 0.84 MTNR1A (0.49) HSP90AA1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8138023 0.84 EGFR (0.59) EGFRHSP90AB1KDM4EALDH1A1GLA
SCHEMBL19332330 0.84 HSP90AA1 (0.54) HSP90AA1MTNR1AMTNR1BBCL2BCL2L1
SCHEMBL19332225 0.80 LMNA (0.51) ALDH1A1GAALMNA
SCHEMBL25346475 0.79 PTPN1 (0.57) HSP90AB1BCL2BCL2L1KDM4EALDH1A1
SCHEMBL28169190 0.79 KDM4E (0.44) HSP90AA1KDM4EALDH1A1LMNASLC7A5
SCHEMBL10906375 0.79 HSP90AB1 (0.53) ALOX5HSP90AB1BCL2BCL2L1KDM4E
SCHEMBL11764362 0.79 ALOX5 (0.74) HSP90AA1ALOX5BCL2BCL2L1HSD17B3
SCHEMBL27474234 0.78 EGFR (0.54) EGFRHSP90AB1KDM4EALDH1A1GLA
SCHEMBL7042369 0.78 MTNR1A (0.64) HSP90AA1MTNR1AMTNR1BKDM4EALDH1A1

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
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed