SCHEMBL9550389

SCHEMBL9550389

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.48
▸ STING1 Q86WV6 1/20 0.48
▸ MAPT P10636 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MCL1 Q07820 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
SCHEMBL9550502 0.81 MMP2 (0.50) GLASTING1KDM4EMEN1NPC1
SCHEMBL11823964 0.75 MAPT (0.73) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL9550380 0.74 STING1 (0.48) GLASTING1MAPTKDM4EMEN1
Acetic Acid SCHEMBL5511893 0.74 MAPT (0.68) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL9550397 0.74 STING1 (0.50) GLASTING1KDM4EMEN1ALDH1A1
SCHEMBL12835290 0.72 CYP1A2 (0.59) GLAMAPTKDM4EMEN1NPC1
SCHEMBL14259336 0.72 KMT2A (0.59) MAPTNPC1ALDH1A1HPGDKMT2A
SCHEMBL10460563 0.71 KDM4E (0.47) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL9380637 0.71 KDM4E (0.58) GLASTING1MAPTKDM4ENPC1
SCHEMBL9747882 0.70 ABCB11 (0.69) MAPTNPC1RAB9AKMT2AMMP2

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
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