SCHEMBL7399657

SCHEMBL7399657

COc1ccc(COC(=O)c2ccc(C(=O)O)cc2)cc1.[Ag]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
RAB9A P51151 2/20 0.69
POLB P06746 1/20 0.69
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
PLA2G4B P0C869 1/20 0.61
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RXRA P19793 2/20 0.56
RXRB P28702 1/20 0.56
ALDH1A1 P00352 3/20 0.56
ESR2 Q92731 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL10636593 0.98 NPC1 (0.71) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL16689961 0.92 KMT2A (0.67) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL1129093 0.87 MEN1 (0.77) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL2704247 0.87 KMT2A (0.71) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL2842512 0.87 KMT2A (0.71) NPC1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL11703832 0.87 KMT2A (0.74) NPC1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL11777793 0.87 KMT2A (0.74) NPC1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL11682986 0.86 NPC1 (0.57) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL27881866 0.86 MAPT (0.60) NPC1SMN1; SMN2RAB9APOLBCA1
SCHEMBL16704815 0.86 MAPT (0.60) NPC1SMN1; SMN2RAB9APOLBCA1

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-0639195-B1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-05-26 EP disclosed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US disclosed
EP-0639195-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP disclosed
WO-1994020504-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO disclosed