SCHEMBL8624830

SCHEMBL8624830

CCCCC(CC(=O)OC)N(Cc1ccccc1)[C@H](C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KCNA5 P22460 3/20 0.42
CNR2 P34972 2/20 0.40
CTSK P43235 8/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 2/20 0.39
CTSS P25774 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
REN P00797 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7376886 1.00 POLB (0.42) POLBKCNA5CNR2CTSKCTSL
SCHEMBL7373925 1.00 POLB (0.42) POLBKCNA5CNR2CTSKCTSL
SCHEMBL25798398 0.96 CNR2 (0.41) POLBKCNA5CNR2MAOBMEN1
SCHEMBL18109669 0.88 POLB (0.43) POLBCNR2MEN1KMT2A
SCHEMBL3698937 0.88 POLB (0.43) POLBCNR2MEN1KMT2A
SCHEMBL20212169 0.88 POLB (0.43) POLBCNR2MEN1KMT2A
SCHEMBL2847080 0.88 POLB (0.43) POLBCNR2MEN1KMT2A
SCHEMBL15608798 0.88 POLB (0.43) POLBCNR2MEN1KMT2A
SCHEMBL18109336 0.87 CTSK (0.43) POLBCTSKCTSLCTSS
SCHEMBL18109338 0.87 CTSK (0.43) POLBCTSKCTSLCTSS

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-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed