SCHEMBL8799725

SCHEMBL8799725

COc1cc(NC(=O)N(CCC2CCCCC2)c2ccccc2)c(OC(=O)[C@H](C)N)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.37
CASR P41180 1/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY5R Q15761 1/20 0.35
KLK7 P49862 1/20 0.35
CCR5 P51681 3/20 0.34

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
Hydrochloric Acid SCHEMBL9068017 0.88 ACHE (0.38) ACHECASRPPARAPPARGPPARD
SCHEMBL8797836 0.86 CTSS (0.38) ACHEPPARAPPARGPPARD
SCHEMBL8799426 0.84 ACHE (0.42) ACHECASRPPARAPPARGPPARD
Hydrochloric Acid SCHEMBL8798899 0.78 GAA (0.36) NPC1RAB9A
SCHEMBL8798797 0.78 NPC1 (0.36) ACHECASRPPARAPPARGPPARD
SCHEMBL281995 0.76 NPC1 (0.39) ACHEPPARAPPARGPPARDNPC1
Hydrochloric Acid SCHEMBL6245752 0.75 NPC1 (0.39) ACHEPPARAPPARGPPARDNPC1
SCHEMBL3740322 0.75 RAB9A (0.38) ACHEPPARAPPARGPPARDNPC1
SCHEMBL9068271 0.74 ACHE (0.38) ACHECASRPPARAKLK7
SCHEMBL9068278 0.74 ACHE (0.38) ACHECASRPPARAKLK7

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
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed