SCHEMBL27805082

SCHEMBL27805082

Cc1cccc(N)c1C(=O)OCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 16/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ IDO1 P14902 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MLNR O43193 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ SLC29A1 Q99808 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
SCHEMBL27805080 1.00 CACNA1B (0.52) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9512860 0.82 CACNA1B (0.52) CACNA1BMMP1MMP2MMP9MMP12
Cinnamyl Anthranilate SCHEMBL826956 0.79 ALDH1A1 (0.63) CACNA1BMMP1MMP2MMP9MMP12
Cinnamyl Anthranilate SCHEMBL14764170 0.79 ALDH1A1 (0.63) CACNA1BMMP1MMP2MMP9MMP12
Cinnamyl Anthranilate SCHEMBL826957 0.79 ALDH1A1 (0.63) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL8786599 0.79 ALDH1A1 (0.59) MEN1KMT2A
SCHEMBL11229669 0.77 MMP1 (0.52) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL2405060 0.77 CA12 (0.59) MEN1KMT2A
Cinnamyl Anthranilate SCHEMBL9957169 0.76 ALDH1A1 (0.58) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL1129358 0.75 CYP3A4 (0.57) CACNA1BMMP1MMP2MMP9MMP12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1719971-B Transgenic high tryptophan plant cell RENESSEN LLC 2011-04-13 — — CN disclosed
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