SCHEMBL7346268

SCHEMBL7346268

O=C(O)CC(Cc1ccc(I)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 2/20 0.55
▸ CPA3 P15088 2/20 0.55
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ LTA4H P09960 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ SLC15A1 P46059 1/20 0.44
▸ LAP3 P28838 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MMEL1 Q495T6 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ CTRB1 P17538 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
SCHEMBL7346272 1.00 CPA1 (0.55) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL7289839 0.91 CPA3 (0.66) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL8399603 0.91 CPA3 (0.66) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL7354310 0.91 CPA3 (0.66) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL3701204 0.87 CPA1 (0.57) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL2571746 0.83 CPA1 (0.56) CPA1CPA3CPB1CPB2SLC15A1
SCHEMBL21811160 0.80 CYP1A2 (0.59) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL22064243 0.79 ALDH1A1 (0.49) LTA4HLAP3ALDH1A1CTRB1
SCHEMBL38661393 0.79 ALDH1A1 (0.49) LTA4HLAP3ALDH1A1CTRB1
SCHEMBL22783732 0.79 SLC7A5 (0.53) LTA4HSLC15A1LAP3ALDH1A1CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442044-A Hypotensive agents PFIZER INC. (US) 1995-08-15 — — US disclosed
EP-0661292-A1 Orally active renin inhibitors PFIZER INC. (US) 1995-07-05 — — EP disclosed
EP-0438233-A2 Orally active renin inhibitors PFIZER INC. (US) 1991-07-24 — — EP disclosed
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