SCHEMBL7410516

SCHEMBL7410516

O=C(O)C[C@@H](Cc1ccccc1)C(=O)OO

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 4/20 0.68
▸ CPA3 P15088 3/20 0.68
▸ CPB1 P15086 1/20 0.68
▸ CPB2 Q96IY4 1/20 0.68
▸ CYP1A2 P05177 1/20 0.55
▸ LTA4H P09960 2/20 0.53
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ FOLH1 Q04609 2/20 0.49
▸ MME P08473 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
SCHEMBL638640 0.87 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL8399603 0.84 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1914987 0.84 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7289839 0.84 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7354310 0.84 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL2398335 0.84 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL901408 0.84 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9226958 0.83 CPA3 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1915564 0.81 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL393002 0.81 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2

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
EP-0366669-A1 MALIC ACID DERIVATIVE CONTAINING RENIN INHIBITING PEPTIDES THE UPJOHN COMPANY (US) 1990-05-09 — — EP disclosed
WO-1989000161-A1 MALIC ACID DERIVATIVE CONTAINING RENIN INHIBITING PEPTIDES THE UPJOHN COMPANY (US) 1989-01-12 — — WO disclosed
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