SCHEMBL7320860

SCHEMBL7320860

O=C(CC(Cc1ccccc1)C(=O)O)c1occ2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 7/20 0.53
CPA3 P15088 3/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
CYP1A2 P05177 1/20 0.50
KMO O15229 1/20 0.47
MME P08473 1/20 0.47
FOLH1 Q04609 1/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42

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
SCHEMBL10389827 1.00 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6450880 0.84 MIF (0.37) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6447072 0.82 CAPN1 (0.37) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6331981 0.76 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7318920 0.74 CPA1 (0.62) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL10389853 0.73 NPC1 (0.53) CYP1A2
SCHEMBL7315538 0.73 TSHR (0.75) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL3104186 0.73 TSHR (0.75) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL11217485 0.72 NR4A2 (0.47) CYP1A2
SCHEMBL9667079 0.71 PTPN1 (0.51) CYP1A2

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed