SCHEMBL11554487

SCHEMBL11554487

CCOC(=O)C(C)c1ccc2oc(C(C)(C)C)cc(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL11563475 0.84 ALOX15 (0.51) STSALOX15HTTMAPTHPGD
SCHEMBL13656194 0.79 ALOX15 (0.54) STSALOX15HTTMAPTHPGD
SCHEMBL11637299 0.79 MAPT (0.56) MAPTHPGDKDM4ELMNAHSD17B10
SCHEMBL11554491 0.76 ALOX15 (0.46) STSMAOBALOX15HTTMAPT
SCHEMBL7614202 0.74 STS (0.58) STSMAOBALOX15HTTMAPT
SCHEMBL22617011 0.73 MAOB (0.70) MAOBMAPTHPGDKDM4ELMNA
SCHEMBL11424358 0.72 RXFP1 (0.41) MAOBHTTMAPTHPGDALDH1A1
SCHEMBL23334588 0.72 MAPT (0.73) STSALOX15HTTMAPTHPGD
SCHEMBL11434266 0.71 GABRP (0.50) MAOBHTTHPGDKDM4ELMNA
SCHEMBL11552917 0.71 MT-CO2 (0.47) MAOBHPGDKDM4ELMNAHSD17B10

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-4151179-A ANTIINFLAMMATORY AGENTS FISONS LIMITED (GB) 1979-04-24 — — US disclosed
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