SCHEMBL11204321

SCHEMBL11204321

CC(C(=O)O)c1cccc2oc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
CXCL8 P10145 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PTGS1 P23219 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP12 P39900 3/20 0.41
MMP13 P45452 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
CDC14B O60729 1/20 0.41

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
SCHEMBL10943956 0.89 MAOA (0.54) MAOAKDM4EUSP2CSNK2A2PTGS1
SCHEMBL11204325 0.83 ALOX5 (0.43) MAOACXCL8KDM4EUSP2CSNK2A2
SCHEMBL9407687 0.81 MAOA (0.42) MAOAKDM4EUSP2CSNK2A2PTGS1
SCHEMBL6601227 0.80 CYP2C9 (0.42) MAOAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1102418 0.79 HPGD (0.43) MAOAKDM4EPTGS1SMN1; SMN2NPC1
SCHEMBL27318902 0.79 MAOA (0.55) MAOAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1066709 0.77 MMP12 (0.39) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL21650697 0.76 ALDH1A1 (0.41) MAOAKDM4EUSP2SMN1; SMN2NPC1
SCHEMBL9764857 0.76 ALOX5 (0.59) ALDH1A1GLA
SCHEMBL22434080 0.75 MAOA (0.46) MAOAKDM4ESMN1; SMN2NPC1RAB9A

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
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed