SCHEMBL8935398

SCHEMBL8935398

CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCN

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
ALOX5 P09917 3/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LTB4R Q15722 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.54
EPOR P19235 1/20 0.54
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
EGFR P00533 2/20 0.53

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
SCHEMBL416662 0.86 NPC1 (0.60) RAB9AALOX5NPC1SMN1; SMN2PTGS1
SCHEMBL8652025 0.86 ALOX5 (0.76) RAB9AALOX5NPC1SMN1; SMN2PTGS1
SCHEMBL6418344 0.83 ALOX5 (0.74) RAB9AALOX5NPC1SMN1; SMN2PTGS1
SCHEMBL7397152 0.83 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL414702 0.78 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPK1LTB4R
SCHEMBL11364330 0.78 AOC3 (0.77)
SCHEMBL7402193 0.77 LTA4H (0.64) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8494501 0.77 ALOX5 (0.61) RAB9AALOX5NPC1SMN1; SMN2PTGS1
SCHEMBL8826002 0.77 ALOX5 (0.61) RAB9AALOX5NPC1SMN1; SMN2PTGS1
SCHEMBL4798737 0.77 ALOX5 (0.58) RAB9AALOX5NPC1SMN1; SMN2PTGS1

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