SCHEMBL8935463

SCHEMBL8935463

NC(=O)CC(N)Cc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
FFAR1 O14842 1/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
MMP2 P08253 2/20 0.47
ANPEP P15144 3/20 0.47
DPP4 P27487 1/20 0.47
TRPA1 O75762 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
KEAP1 Q14145 1/20 0.46
ERAP1 Q9NZ08 3/20 0.45
ERAP2 Q6P179 2/20 0.45
LAP3 P28838 1/20 0.44

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
SCHEMBL7346978 0.93 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8302412 0.93 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346982 0.93 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589045 0.91 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589046 0.91 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Acetic Acid SCHEMBL6692778 0.88 ALPI (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8935392 0.84 FFAR1 (0.62) FFAR1PPARGPPARA
SCHEMBL17079480 0.82 MAPT (0.49) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8935323 0.82 FFAR1 (0.56) EPHX1FFAR1PPARGPPARAMMP2
SCHEMBL8935344 0.82 SLC6A4 (0.60) EPHX1FFAR1ALPIPKMPTGS1

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