SCHEMBL8905965

SCHEMBL8905965

COC(=O)CCc1ccc(NC(=O)c2occ3cc(C#N)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EPHX2 P34913 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
CTNNB1 P35222 3/20 0.37
TCF7L2 Q9NQB0 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.36
FFAR1 O14842 2/20 0.36

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
SCHEMBL8904886 0.82 PLAU (0.49) PLAUF2PLGKLKB1PRSS1
SCHEMBL8713054 0.80 RAB9A (0.47) ALDH1A1MAPTSMN1; SMN2POLBDRD2
SCHEMBL8718269 0.78 KMT2A (0.44) PLAUEPHX2F2PLGKLKB1
SCHEMBL9238331 0.78 MLYCD (0.53) CYP11B1CYP11B2ALDH1A1MAPTSIRT2
SCHEMBL8715687 0.77 CETP (0.41) PLAUF2PLGKLKB1PRSS1
SCHEMBL1338556 0.74 CYP11B1 (0.60) CYP11B1CYP11B2ALDH1A1MAPTSAE1
SCHEMBL8905183 0.74 CNR2 (0.41) PLAUALDH1A1SIRT2CNR1
SCHEMBL8988613 0.73 RORC (0.55) CYP11B1CYP11B2ALDH1A1MAPTSAE1
SCHEMBL7389712 0.73 NCEH1 (0.41) PLAUF2PLGKLKB1PRSS1
SCHEMBL3628694 0.71 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1MAPTFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed