SCHEMBL7312441

SCHEMBL7312441

Cc1cccc(C(=O)CC(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.63
CPA1 P15085 4/20 0.55
CPA3 P15088 2/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
TSHR P16473 1/20 0.54
FOLH1 Q04609 4/20 0.54
CYP1A2 P05177 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MME P08473 1/20 0.49
MEN1 O00255 1/20 0.48
TDP2 O95551 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47

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
SCHEMBL3104186 0.85 TSHR (0.75) KMOCPA1CPA3CPB1CPB2
SCHEMBL7315538 0.85 TSHR (0.75) KMOCPA1CPA3CPB1CPB2
SCHEMBL3113026 0.84 KMO (0.63) KMOCPA1CPA3CPB1CPB2
SCHEMBL7312457 0.83 KMO (0.71) KMOCPA1CPA3CPB1CPB2
SCHEMBL7321600 0.80 KMO (0.59) KMOCPA1CPA3CPB1CPB2
SCHEMBL2535661 0.79 FOLH1 (0.68) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL7314484 0.79 KMO (0.57) KMOCPA1CPA3CPB1CPB2
SCHEMBL3104413 0.78 KMO (0.68) KMOCPA1CPA3CPB1CPB2
SCHEMBL7320178 0.78 KMO (0.54) KMOCPA1CPA3CPB1CPB2
SCHEMBL7316863 0.78 ALDH1A1 (0.58) KMOCPA1CPA3CPB1CPB2

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