SCHEMBL8935237

SCHEMBL8935237

CNC(=O)[C@](N)(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
PARP10 Q53GL7 1/20 0.51
LTA4H P09960 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX5 P09917 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL8935242 1.00 MAOB (0.51) MAOBPARP10LTA4HRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29663962 0.83 MAOB (0.57) MAOBPARP10LTA4HRAB9ASMN1; SMN2
SCHEMBL8935235 0.81 FFAR1 (0.51) LTA4HRAB9ANPC1FFAR1
SCHEMBL8935303 0.80 MAOB (0.54) MAOBALOX5MAOA
SCHEMBL8935258 0.80 MAOB (0.54) MAOBPARP10NR4A2MAOA
SCHEMBL27312927 0.80 PARP10 (0.56) MAOBPARP10LTA4HRAB9ASMN1; SMN2
SCHEMBL9079869 0.79 BLM (0.62) MAOBPARP10RAB9ASMN1; SMN2ALOX5
SCHEMBL30787972 0.79 BLM (0.62) MAOBPARP10RAB9ASMN1; SMN2ALOX5
SCHEMBL9001028 0.79 BLM (0.62) MAOBPARP10RAB9ASMN1; SMN2ALOX5
SCHEMBL8935294 0.78 MAOB (0.51) MAOBRAB9AMAPTNPC1NR4A2

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed