SCHEMBL9504188

SCHEMBL9504188

NCCCC[C@H](NC(=S)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ FOLH1 Q04609 1/20 0.50
▸ ERAP2 Q6P179 3/20 0.46
▸ LNPEP Q9UIQ6 3/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ ERAP1 Q9NZ08 2/20 0.45
▸ CPB2 Q96IY4 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ECE1 P42892 1/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ PLG P00747 1/20 0.42

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
SCHEMBL9504193 1.00 MMP2 (0.54) MMP2MMP9CA1CA2FOLH1
SCHEMBL607885 0.85 ITGB3 (0.60) MMP2MMP9CA1CA2FOLH1
SCHEMBL607886 0.85 ITGB3 (0.60) MMP2MMP9CA1CA2FOLH1
SCHEMBL1980652 0.80 ITGB3 (0.57) MMP2MMP9CA1CA2ERAP2
SCHEMBL8847374 0.80 ITGB3 (0.57) MMP2MMP9CA1CA2ERAP2
SCHEMBL1980150 0.80 ITGB3 (0.57) MMP2MMP9CA1CA2ERAP2
SCHEMBL6810961 0.80 ITGB3 (0.55) MMP2MMP9CA1CA2FOLH1
SCHEMBL22312697 0.80 ITGB3 (0.55) MMP2MMP9CA1CA2FOLH1
SCHEMBL7390292 0.80 ITGB3 (0.55) MMP2MMP9CA1CA2FOLH1
SCHEMBL9388898 0.80 C3AR1 (0.47) FOLH1ITGB3ITGA2BKMT2AGAA

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-0300849-B1 PROCESS FOR THE CHEMICAL MODIFICATION OF PROTIDES, AND PRODUCTS SO MODIFIED SOCIETE NATIONALE ELF AQUITAINE (FR) 1993-06-16 — — EP disclosed
US-4870016-A CHANGING SOLUBILITY OF ENZYMES LEVESQUE GUY (FR) 1989-09-26 — — US disclosed
EP-0300849-A1 Process for the chemical modification of protides, and products so modified SOCIETE NATIONALE ELF AQUITAINE (FR) 1989-01-25 — — EP disclosed
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