SCHEMBL8841202

SCHEMBL8841202

CC(=O)Nc1ccc2oc(C(=O)c3cc(C)ccc3C)c(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ AGPAT2 O15120 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
SCHEMBL15022422 0.79 MCL1 (0.60) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL26602375 0.74 HIF1A (0.64) KDM4EHIF1A
SCHEMBL8305401 0.74 CA12 (0.53) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL8841212 0.71 ALDH1A1 (0.46) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL7032769 0.70 KCNH2 (0.61) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL30608265 0.67 NPC1 (0.61) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL17786550 0.67 CSNK2A2 (0.55) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL1065472 0.67 MCL1 (0.71) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL2785581 0.67 NPC1 (0.58) MAPTKDM4EKMT2AHPGDHSD17B10
SCHEMBL19661814 0.66 KCNH2 (0.60) MAPTKDM4EKMT2AHPGDHSD17B10

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-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US claimed
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