SCHEMBL10704435

SCHEMBL10704435

CC(C)C[C@H](N[C@H](C)C(=O)O)C(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MMP9 P14780 2/20 0.58
▸ MMP1 P03956 1/20 0.58
▸ MMP8 P22894 4/20 0.52
▸ MMP3 P08254 2/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL10953674 0.86 ANPEP (0.55) ANPEPMMP9MMP1MMP8MMP3
SCHEMBL10705718 0.86 ANPEP (0.55) ANPEPMMP9MMP1MMP8MMP3
SCHEMBL7306277 0.81 ANPEP (0.64) ANPEPKMT2AMEN1TSHRMMP9
SCHEMBL7306287 0.81 ANPEP (0.64) ANPEPKMT2AMEN1TSHRMMP9
SCHEMBL10706501 0.78 CA5A (0.60) MMP9MMP1CA5A
SCHEMBL8255279 0.78 ANPEP (0.80) ANPEPKMT2AMEN1TSHR
SCHEMBL5870044 0.78 ANPEP (0.80) ANPEPKMT2AMEN1TSHR
SCHEMBL13073874 0.77 ANPEP (0.63) ANPEPKMT2AMEN1TSHRMMP8
SCHEMBL8613610 0.77 ANPEP (0.63) ANPEPKMT2AMEN1TSHRMMP8
SCHEMBL18435144 0.76 KMT2A (0.56) ANPEPKMT2AMEN1TSHRMMP8

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-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 — — EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 — — US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 — — US disclosed
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