SCHEMBL10717422

SCHEMBL10717422

CC(C)C(CP(=O)(O)C(CC1CCCCC1)NCN(C=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 10/20 0.40
▸ MMP13 P45452 4/20 0.40
▸ ATM Q13315 1/20 0.39
▸ ANPEP P15144 2/20 0.37
▸ ERAP2 Q6P179 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ DPEP1 P16444 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ ACP3 P15309 1/20 0.33

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
SCHEMBL7286409 0.77 LTA4H (0.47) MMP1MMP13ANPEPERAP2MMP2
SCHEMBL7286416 0.77 LTA4H (0.47) MMP1MMP13ANPEPERAP2MMP2
SCHEMBL10715965 0.77 ACE2 (0.53) —
SCHEMBL10718428 0.74 REN (0.44) ANPEPERAP2
SCHEMBL10717475 0.74 REN (0.47) NPC1RAB9ANPY5R
SCHEMBL10716135 0.71 MMP3 (0.51) MMP1ANPEPERAP2MMP2MMP3
SCHEMBL5059759 0.70 MMP1 (0.45) MMP1MMP13ATMANPEPERAP2
SCHEMBL10715988 0.70 REN (0.41) MMP1MMP13ATM
SCHEMBL10715825 0.68 CPB2 (0.43) EPHX2
SCHEMBL10716157 0.68 CTSK (0.47) MMP1MMP13HDAC1HDAC6

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