SCHEMBL11072094

SCHEMBL11072094

CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c1c(C)n(CC)c2ccccc12)N(c1ccccc1)c1ccc(OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
MDH2 P40926 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
STS P08842 5/20 0.35

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
SCHEMBL11062208 0.94 SMN1; SMN2 (0.39) PLA2G2ASMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL11068054 0.93 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL11068175 0.90 SMN1; SMN2 (0.42) PLA2G2ASMN1; SMN2
SCHEMBL11062617 0.90 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL11068376 0.89 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL11065443 0.88 PLA2G2A (0.37) PLA2G2ASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL11083992 0.87 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL11062542 0.84 SMN1; SMN2 (0.44) PLA2G2ASMN1; SMN2
SCHEMBL11064330 0.84 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL11065441 0.84 SMN1; SMN2 (0.37) PLA2G2ASMN1; SMN2

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-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US claimed