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SCHEMBL7425528

SCHEMBL7425528

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@](Cc1ccccc1)(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.42
▸ CTSL P07711 8/20 0.42
▸ CTSS P25774 5/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL7384528 0.98 CTSK (0.43) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7381284 0.94 CTSK (0.41) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7384879 0.92 CTSK (0.41) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7383988 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7424322 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7382941 0.86 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL7382400 0.85 CTSK (0.39) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7384921 0.85 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL7380606 0.84 CTSK (0.40) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7432731 0.83 CTSK (0.46) CTSKCTSLCTSSCTSB

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-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 — — EP disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 — — WO disclosed