SCHEMBL10848314

SCHEMBL10848314

CC(Oc1ccc(Oc2ccc3ccccc3n2)cc1)C(=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 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
SCHEMBL11010037 0.86 CYP1A2 (0.54) ALOX5CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL27258901 0.86 CYP1A2 (0.54) ALOX5CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL30946259 0.86 CYP1A2 (0.54) ALOX5CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL10848873 0.84 MAPT (0.54) ALOX5CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL10916531 0.81 L3MBTL1 (0.52) ALOX5MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL11097232 0.75 PPARA (0.53) ALOX5SMN1; SMN2
Sulfuric Acid SCHEMBL27775858 0.72 ALDH1A1 (0.49) ALOX5CYP1A2MAPTLMNAALDH1A1
SCHEMBL11694952 0.72 NPC1 (0.63) CYP1A2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL10847357 0.72 AR (0.51) ALOX5CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL12386818 0.72 HTT (0.63) CYP1A2MAPTLMNASMN1; SMN2ALDH1A1

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-4629493-A NONPHYTOTOXIC TO BROAD LEAF PLANTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-16 — — US disclosed
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