SCHEMBL9737341

SCHEMBL9737341

C[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
CYP1A2 P05177 1/20 0.38
PNMT P11086 1/20 0.38
ACE P12821 2/20 0.37
MME P08473 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
APC P25054 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMB5 P28074 1/20 0.36
CTSB P07858 2/20 0.36
EPHX1 P07099 1/20 0.36
CAPN1 P07384 1/20 0.36
TPSAB1 Q15661 2/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL9737322 1.00 CTSK (0.39) CTSKCYP1A2PNMTACEMME
SCHEMBL2549268 0.91 PNMT (0.43) PNMTACENPC1RAB9AEPHX1
SCHEMBL2549264 0.91 PNMT (0.43) PNMTACENPC1RAB9AEPHX1
SCHEMBL31026357 0.90 SDCBP (0.43) CTSKCYP1A2PNMTMMENPC1
SCHEMBL29084932 0.90 SDCBP (0.43) CTSKCYP1A2PNMTMMENPC1
SCHEMBL5689687 0.88 PNMT (0.44) CTSKCYP1A2PNMTMMENPC1
SCHEMBL30762790 0.88 PNMT (0.44) CTSKCYP1A2PNMTMMENPC1
SCHEMBL22804044 0.88 PNMT (0.44) CTSKCYP1A2PNMTMMENPC1
SCHEMBL8303924 0.88 PNMT (0.44) CTSKCYP1A2PNMTMMENPC1
SCHEMBL21633435 0.87 ACE (0.48) PNMTACE

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-5130307-A Antibody inhibitors; treating organ graft rejection, fungal infections; antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 US disclosed