SCHEMBL8935287

SCHEMBL8935287

NOC(=O)CCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.64
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
MAOA P21397 1/20 0.59
ALOX5 P09917 1/20 0.57
S1PR1 P21453 1/20 0.56
S1PR5 Q9H228 1/20 0.56
FFAR1 O14842 4/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
FFAR4 Q5NUL3 3/20 0.53
AKR1B1 P15121 1/20 0.53
NR4A2 P43354 1/20 0.52

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
SCHEMBL9626424 0.84 MAOB (0.69) MAOBRXRARXRBRXRGMAOA
SCHEMBL1746764 0.81 FFAR1 (0.61) MAOBRXRARXRBRXRGMAOA
SCHEMBL9628508 0.79 MAOB (0.71) MAOBRXRARXRBRXRGMAOA
SCHEMBL5038560 0.79 MAOB (0.58) MAOBRXRARXRBRXRGMAOA
SCHEMBL1746781 0.79 FFAR1 (0.81) FFAR1FFAR4AKR1B1
Hydrochloric Acid SCHEMBL7429625 0.78 MAOB (1.00) MAOBRXRARXRBRXRGMAOA
SCHEMBL4450949 0.78 MAOB (0.61) MAOBRXRARXRBRXRGMAOA
SCHEMBL1680762 0.77 MAOB (1.00) MAOBRXRARXRBRXRGMAOA
SCHEMBL9626584 0.77 LTA4H (0.68) MAOBRXRARXRBRXRGMAOA
SCHEMBL69355 0.77 MAOB (0.60) MAOBRXRARXRBRXRGMAOA

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