SCHEMBL11529201

SCHEMBL11529201

CCCCn1cc(C(=O)OCC)c(=O)c2ccc(N)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CNR1 P21554 6/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 10/20 0.47
P2RX3 P56373 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TNF P01375 1/20 0.43

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
SCHEMBL11530724 0.97 CNR1 (0.53) LMNACNR1POLBKMT2ACNR2
SCHEMBL11527639 0.96 CNR1 (0.53) LMNACNR1POLBKMT2ACNR2
SCHEMBL11527306 0.93 LMNA (0.52) LMNACNR1POLBKMT2ACNR2
SCHEMBL11526372 0.88 LMNA (0.63) LMNAPOLBKMT2AP2RX3TDP1
SCHEMBL11524392 0.84 LMNA (0.49) LMNAPOLBKMT2AP2RX3TDP1
SCHEMBL18833435 0.83 CNR1 (0.68) LMNACNR1CNR2TDP1
SCHEMBL11589628 0.83 KMT2A (0.69) LMNAPOLBKMT2AP2RX3TDP1
SCHEMBL11529401 0.83 POLB (0.54) LMNACNR1POLBKMT2ACNR2
SCHEMBL11526422 0.80 NPC1 (0.46) LMNACNR1POLBKMT2ACNR2
SCHEMBL11526427 0.80 NPC1 (0.46) LMNACNR1POLBKMT2ACNR2

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