SCHEMBL9244602

SCHEMBL9244602

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.43
▸ MMP1 P03956 4/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ GRM3 Q14832 2/20 0.40
▸ CPN1 P15169 2/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ LAP3 P28838 1/20 0.36

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
SCHEMBL9244187 0.86 MMP1 (0.41) LTA4HMMP1MMP13GRM3CPN1
SCHEMBL9246018 0.83 LTA4H (0.44) LTA4HMMP1MMP13CPN1CPB2
SCHEMBL9243534 0.81 GCLC (0.41) LTA4HMMP1MMP13
SCHEMBL9807765 0.79 LTA4H (0.39) LTA4HMMP1CPN1CPB2
SCHEMBL9247581 0.79 ALDH1A1 (0.44) LTA4HMMP1MMP13
SCHEMBL9248326 0.79 ALDH1A1 (0.44) LTA4HMMP1MMP13
SCHEMBL5053043 0.76 MMP1 (0.61) MMP1MMP13ANPEP
SCHEMBL8871986 0.76 CPN1 (0.50) LTA4HCPN1CPB2
SCHEMBL9646994 0.76 DPEP1 (0.49) ANPEPLAP3
SCHEMBL9242284 0.75 LTA4H (0.38) LTA4HMMP1MMP13CPN1CPB2

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
EP-0347840-B1 Phosphinic acid derivates BANYU PHARMA CO LTD (JP) 1995-12-27 — — EP disclosed
US-4988681-A Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 — — US disclosed
EP-0347840-A2 Phosphinic acid derivates BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-27 — — EP disclosed
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