SCHEMBL9550502

SCHEMBL9550502

COc1ccc(-c2oc3c(CC(=O)O)cccc3c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.50
MMP12 P39900 4/20 0.50
MMP9 P14780 3/20 0.50
STING1 Q86WV6 2/20 0.50
GLA P06280 1/20 0.50
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
MMP14 P50281 3/20 0.46
MMP16 P51512 3/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 6/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LCK P06239 1/20 0.43
NPC1 O15118 1/20 0.42
ABCG2 Q9UNQ0 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
SCHEMBL9550380 0.88 STING1 (0.48) MMP2MMP12MMP9STING1GLA
SCHEMBL9550449 0.87 GLA (0.56) STING1GLAKDM4EALDH1A1TDP1
SCHEMBL9550389 0.81 GLA (0.48) MMP2MMP12MMP9STING1GLA
SCHEMBL12835290 0.79 CYP1A2 (0.59) MMP2MMP12MMP9GLAKDM4E
SCHEMBL8875368 0.79 GLA (0.63) STING1GLAKDM4EALDH1A1MEN1
SCHEMBL11702876 0.77 MMP2 (0.51) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12835497 0.76 ABCG2 (0.60) STING1GLAKDM4EALDH1A1MEN1
SCHEMBL10396360 0.76 MMP2 (0.50) MMP2MMP12MMP9MMP8MMP13
SCHEMBL4941492 0.75 MMP2 (0.58) MMP2MMP12MMP9MMP8MMP13
SCHEMBL8878027 0.73 ALDH1A1 (0.53) GLAKDM4EALDH1A1MEN1KMT2A

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed