SCHEMBL20848358

SCHEMBL20848358

CCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.67
APP P05067 2/20 0.67
NR4A2 P43354 1/20 0.59
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
PARP10 Q53GL7 1/20 0.57
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL22874653 0.88 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL16440939 0.85 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL21340442 0.84 MAOB (0.69) MAOBAPPNR4A2NPC1RAB9A
SCHEMBL19604518 0.84 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL11959895 0.84 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL18937890 0.83 MAOB (0.71) MAOBAPPNR4A2CA12CA1
SCHEMBL16440940 0.82 MAOB (0.63) MAOBAPPNR4A2CA12CA1
SCHEMBL13977985 0.82 APP (0.69) MAOBAPPRXRARXRBNPC1
SCHEMBL8272576 0.82 RXRA (0.66) APPRXRARXRBLMNANPC1
SCHEMBL15336496 0.82 MAOB (0.61) MAOBAPPRXRARXRBPARP10

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
EP-2486002-B1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS SA (ES) 2019-03-27 EP disclosed