SCHEMBL8935282

SCHEMBL8935282

NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP10 Q53GL7 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45

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
SCHEMBL8935257 0.95 ALOX5 (0.52) ALOX5PTGS1PTGS2KDM4EKMT2A
SCHEMBL8935280 0.75 ALOX5 (0.52) ALOX5PTGS1PTGS2KDM4EKMT2A
Carbamic Acid SCHEMBL5481170 0.74 KDM4E (0.65) KDM4EKMT2ASMN1; SMN2PARP10RAB9A
SCHEMBL10465707 0.73 ALOX5 (0.58) ALOX5PTGS1PTGS2L3MBTL1PARP10
SCHEMBL9474556 0.72 ALOX5 (0.74) ALOX5PTGS1PTGS2L3MBTL1PARP10
SCHEMBL7760534 0.72 L3MBTL1 (0.56) ALOX5PTGS1PTGS2L3MBTL1PARP10
SCHEMBL7757382 0.72 L3MBTL1 (0.56) ALOX5PTGS1PTGS2L3MBTL1PARP10
SCHEMBL6590735 0.72 PPARG (0.66) KDM4EKMT2ASMN1; SMN2RAB9AFFAR1
SCHEMBL1395785 0.72 PARP10 (0.68) ALOX5PTGS1PTGS2SMN1; SMN2L3MBTL1
Cyclopentanol SCHEMBL9289670 0.71 PARP10 (0.76) PARP10RAB9ANPC1MAOBNR4A1

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 4 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
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed