SCHEMBL9625936

SCHEMBL9625936

CC(C)(C)OC(=O)NC(COCc1ccccc1)CN(CC(N)COCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
CTSS P25774 4/20 0.50
PPARG P37231 1/20 0.48
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.45
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
CTSK P43235 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL18407225 0.82 PPARA (0.69) PPARACTSSPPARGSYKATM
SCHEMBL273467 0.81 PPARA (0.58) PPARACTSSPPARGSYKATM
SCHEMBL1001282 0.80 PPARA (0.63) PPARACTSSPPARGSYKATM
SCHEMBL272967 0.80 PPARA (0.63) PPARACTSSPPARGSYKATM
SCHEMBL1000339 0.80 PPARA (0.63) PPARACTSSPPARGSYKATM
SCHEMBL25467757 0.79 PPARA (0.65) PPARACTSSPPARGSYKATM
SCHEMBL212796 0.79 PPARA (0.65) PPARACTSSPPARGSYKATM
SCHEMBL1132570 0.79 PPARA (0.65) PPARACTSSPPARGSYKATM
SCHEMBL27538401 0.79 ATM (0.65) PPARACTSSPPARGSYKATM
SCHEMBL212797 0.79 PPARA (0.65) PPARACTSSPPARGSYKATM

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-0299795-B1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF NYCOMED AS (NO) 1992-03-18 EP disclosed