SCHEMBL8935344

SCHEMBL8935344

NC(=O)CC(N)Cc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.60
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
HAO1 Q9UJM8 1/20 0.46
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MMP2 P08253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DPP4 P27487 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7346982 0.84 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346978 0.84 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8302412 0.84 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589046 0.83 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589045 0.83 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8935463 0.82 EPHX1 (0.53) PPARGPPARAEPHX1ALPIPKM
Acetic Acid SCHEMBL6692778 0.80 ALPI (0.56) SLC6A4EPHX1ALPIPKMPTGS1
SCHEMBL24098559 0.78 SLC6A4 (0.61) SLC6A4PPARGPPARAHAO1EPHX1
SCHEMBL17079480 0.75 MAPT (0.49) EPHX1MEN1KMT2AALPIPKM
SCHEMBL8935323 0.74 FFAR1 (0.56) PPARGPPARAEPHX1MMP2FFAR1

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