SCHEMBL11530724

SCHEMBL11530724

CCCCCn1cc(C(=O)OCC)c(=O)c2ccc(N)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.53
CNR2 P34972 11/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX3 P56373 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11527639 0.99 CNR1 (0.53) CNR1CNR2LMNAPOLBKMT2A
SCHEMBL11529201 0.97 LMNA (0.50) CNR1CNR2LMNAPOLBKMT2A
SCHEMBL11527306 0.92 LMNA (0.52) CNR1CNR2LMNAPOLBKMT2A
SCHEMBL11526372 0.87 LMNA (0.63) LMNAPOLBKMT2AP2RX3TDP1
SCHEMBL18833432 0.84 CNR1 (0.73) CNR1CNR2
SCHEMBL11524392 0.83 LMNA (0.49) LMNAPOLBKMT2AP2RX3TDP1
SCHEMBL11526603 0.83 POLB (0.53) CNR1CNR2LMNAPOLBKMT2A
SCHEMBL30417310 0.83 CNR1 (0.72) CNR1CNR2
SCHEMBL18833434 0.83 CNR1 (0.72) CNR1CNR2
SCHEMBL11589628 0.82 KMT2A (0.69) LMNAPOLBKMT2AP2RX3TDP1

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-4137227-A BACTERICIDES STERLING DRUG INC. (US) 1979-01-30 US disclosed