SCHEMBL9417552

SCHEMBL9417552

CCCCCCCCCCCCCCCCCCOc1cc(N)cc(N(CC(=O)OC)CC(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.62
BLM P54132 1/20 0.62
TSHR P16473 2/20 0.45
CNR1 P21554 7/20 0.40
CNR2 P34972 7/20 0.40
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 3/20 0.39
TP53 P04637 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
SCHEMBL9170397 0.95 PLA2G2A (0.71) PLA2G2ABLMTSHRCNR1CNR2
SCHEMBL9168532 0.91 PLA2G2A (0.74) PLA2G2ABLMTSHRCNR1CNR2
SCHEMBL9171311 0.87 PLA2G2A (0.82) PLA2G2ABLMTSHRTHRBTHRA
SCHEMBL9171634 0.86 PLA2G2A (0.85) PLA2G2ABLMTSHRCNR1CNR2
SCHEMBL9167296 0.86 PLA2G2A (0.64) PLA2G2ABLMCNR1CNR2
SCHEMBL9171261 0.86 PLA2G2A (0.64) PLA2G2ABLMCNR1CNR2
SCHEMBL9168070 0.85 PLA2G2A (0.66) PLA2G2ABLMCNR1CNR2THRB
SCHEMBL9172034 0.83 PLA2G2A (0.60) PLA2G2ABLMTSHRCNR1CNR2
SCHEMBL9172120 0.83 PLA2G2A (0.63) PLA2G2ABLMCNR1CNR2THRB
SCHEMBL9166116 0.83 PLA2G2A (0.63) PLA2G2ABLMCNR1CNR2MEN1

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
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed