SCHEMBL7955147

SCHEMBL7955147

CCCCCCCCCCCC(=O)c1c(C(=O)OCC)n(Cc2ccc(OCC(=O)OCC)cc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55

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
SCHEMBL7211881 0.87 PSEN1 (0.54) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL7207563 0.83 PLA2G2A (0.66) PLA2G2A
SCHEMBL9268492 0.78 PLA2G2A (0.64) PLA2G2A
SCHEMBL7211985 0.77 PLA2G2A (0.53) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL9266165 0.77 PLA2G2A (0.67) PLA2G2A
SCHEMBL9268578 0.76 PLA2G2A (0.69) PLA2G2A
SCHEMBL7968970 0.76 PLA2G2A (0.56) PLA2G2A
SCHEMBL7968973 0.76 PLA2G2A (0.56) PLA2G2A
SCHEMBL9271951 0.75 CNR2 (0.55) PLA2G2A
SCHEMBL9269666 0.75 PLA2G2A (0.67) PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310217-B1 ANTIINFLAMMATORY AND ANALGESIC AGENTS MERCKLE GMBH (DE) 2001-10-30 US disclosed