SCHEMBL7263882

SCHEMBL7263882

[CH2]c1ccc(N)cc1C(=O)OC/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ CACNA1B Q00975 11/20 0.46
▸ EGFR P00533 1/20 0.45
▸ ACLY P53396 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL5050337 0.92 MMP1 (0.38) MMP1MMP2MMP9MMP12CACNA1B
SCHEMBL8164747 0.84 MMP1 (0.49) MMP1MMP2MMP9MMP12CACNA1B
SCHEMBL7260048 0.84 MMP1 (0.44) MMP1MMP2MMP9MMP12CACNA1B
Cinnamyl Anthranilate SCHEMBL826956 0.78 ALDH1A1 (0.63) MMP1MMP2MMP9MMP12CACNA1B
Cinnamyl Anthranilate SCHEMBL14764170 0.78 ALDH1A1 (0.63) MMP1MMP2MMP9MMP12CACNA1B
Cinnamyl Anthranilate SCHEMBL826957 0.78 ALDH1A1 (0.63) MMP1MMP2MMP9MMP12CACNA1B
SCHEMBL7258885 0.77 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPTSMN1; SMN2
SCHEMBL8159837 0.77 MMP1 (0.52) MMP1MMP2MMP9MMP12CACNA1B
SCHEMBL5050206 0.76 MMP1 (0.36) MMP1MMP2MMP9MMP12CACNA1B
Cinnamyl Anthranilate SCHEMBL9957169 0.75 ALDH1A1 (0.58) MMP1MMP2MMP9MMP12CACNA1B

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-1370298-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS Syntarga B.V. (NL) 2003-12-17 — — EP disclosed
WO-2002083180-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA B.V. (NL) 2002-10-24 — — WO disclosed
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