SCHEMBL10717475

SCHEMBL10717475

CC(C)C(CP(=O)(O)C(CC1CCCCC1)NC(=O)COc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.47
▸ NPY5R Q15761 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL10715965 0.82 ACE2 (0.53) —
SCHEMBL7286416 0.80 LTA4H (0.47) —
SCHEMBL7286409 0.80 LTA4H (0.47) —
SCHEMBL10715825 0.79 CPB2 (0.43) —
SCHEMBL7283321 0.76 CASP3 (0.46) RENALDH1A1
SCHEMBL10716157 0.76 CTSK (0.47) RENKMT2A
SCHEMBL10718428 0.75 REN (0.44) RENLMNA
SCHEMBL10717422 0.74 MMP1 (0.40) NPY5RNPC1RAB9A
SCHEMBL7284748 0.72 CPB2 (0.49) —
SCHEMBL7284754 0.72 CPB2 (0.49) —

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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