SCHEMBL7112540

SCHEMBL7112540

C=CC[C@@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
POLB P06746 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CTSL P07711 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NAAA Q02083 3/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL7459013 1.00 CTSB (0.35) CTSBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7109196 0.74 MMP2 (0.51) MMP3
SCHEMBL2248121 0.67 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL2598530 0.66 SLC1A3 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24049692 0.66 SYK (0.53) CTSBCTSLCTSSCTSK
SCHEMBL18916428 0.65 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6661784 0.65 ALDH1A1 (0.45) CTSBALDH1A1SMN1; SMN2POLBCTSL
SCHEMBL4904600 0.65 SYK (0.57) CTSBPOLBCTSLCTSSCTSK
SCHEMBL14768567 0.65 SYK (0.57) CTSBPOLBCTSLCTSSCTSK
SCHEMBL24049443 0.64 PSMB5 (0.58)

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-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 EP disclosed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 US disclosed