SCHEMBL8935472

SCHEMBL8935472

CNC(=O)[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
BCHE P06276 2/20 0.53
LTA4H P09960 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL8935277 1.00 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL1071045 1.00 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7398741 0.96 MMP9 (0.55) MMP9MMP8BCHELTA4HNPC1
SCHEMBL7398737 0.96 MMP9 (0.55) MMP9MMP8BCHELTA4HNPC1
SCHEMBL3073641 0.93 MMP9 (0.60) MMP9MMP8BCHELTA4HNPC1
SCHEMBL3288556 0.90 MMP9 (0.69) MMP9MMP8BCHELTA4H
SCHEMBL1069240 0.90 MMP9 (0.69) MMP9MMP8BCHELTA4H
SCHEMBL7395329 0.89 NPC1 (0.53) MMP9MMP8NPC1RAB9AMEN1
SCHEMBL9518560 0.89 NPC1 (0.53) MMP9MMP8NPC1RAB9AMEN1
SCHEMBL9129123 0.88 FFAR1 (0.51) MMP9MMP8BCHELTA4H

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 3 patents. 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
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed