SCHEMBL8650285

SCHEMBL8650285

CCC(=O)C(NC(=O)c1ccc(C#N)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
PRSS1 P07477 4/20 0.45
CTSG P08311 4/20 0.45
CTRB1 P17538 4/20 0.45
CMA1 P23946 4/20 0.45
RAB9A P51151 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL8642814 0.83 GAA (0.39) RAB9ANPC1ALDH1A1MAPT
SCHEMBL8642824 0.83 GAA (0.39) RAB9ANPC1ALDH1A1MAPT
SCHEMBL8645969 0.82 F10 (0.40) PRSS1
SCHEMBL8650390 0.82 HDAC3 (0.41) PPARARAB9AMEN1KMT2ANPC1
SCHEMBL8644172 0.82 SCN5A (0.37) RAB9AMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL8644799 0.81 F10 (0.40) PRSS1
SCHEMBL8647713 0.81 POLB (0.35) PPARARAB9AMEN1KMT2ANPC1
Iodide SCHEMBL8645881 0.81 POLB (0.34) PPARARAB9AMEN1KMT2ANPC1
SCHEMBL8642834 0.80 RAB9A (0.40) PPARARAB9AKMT2ANPC1MAPT
SCHEMBL8644180 0.79 POLB (0.39) PPARARAB9AMEN1KMT2ANPC1

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed