SCHEMBL10718337

SCHEMBL10718337

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 4/20 0.51
▸ MMP1 P03956 2/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ CPB2 Q96IY4 1/20 0.49
▸ CPA1 P15085 4/20 0.47
▸ CPA2 P48052 4/20 0.47
▸ CPA4 Q9UI42 4/20 0.47
▸ ACE2 Q9BYF1 3/20 0.46
▸ REN P00797 2/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ ERAP2 Q6P179 4/20 0.43
▸ ERAP1 Q9NZ08 4/20 0.43
▸ IL1RN P18510 2/20 0.43
▸ LNPEP Q9UIQ6 2/20 0.43
▸ CTSD P07339 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
SCHEMBL10716135 0.87 MMP3 (0.51) MMP3MMP1MMP2CPA1CPA2
SCHEMBL10716071 0.84 ACE2 (0.67) ACE2
SCHEMBL7283423 0.78 ACE2 (0.60) ACE2
Hydrochloric Acid SCHEMBL10718561 0.76 ACE2 (0.48) MMP3MMP1MMP2CPA1CPA2
SCHEMBL10718394 0.75 ACE2 (0.58) ACE2
SCHEMBL7029711 0.73 LTA4H (0.60) MMP3MMP1MMP2CPA1ACE2
SCHEMBL7429175 0.73 REN (0.63) MMP3MMP1MMP2REN
SCHEMBL7285402 0.73 CPB2 (0.47) CPB2ERAP2ERAP1LNPEP
SCHEMBL7285396 0.73 CPB2 (0.47) CPB2ERAP2ERAP1LNPEP
SCHEMBL7283367 0.73 ACE2 (0.51) MMP2ACE2RENERAP1

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-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP claimed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
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