SCHEMBL8040742

SCHEMBL8040742

CCCCc1cc(C)cc(O)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TYR P14679 3/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL12581613 0.84 CYP3A4 (0.42) HTTALDH1A1MAPTMAPK1HPGD
SCHEMBL3970026 0.83 MAPK1 (0.53) HTTALDH1A1SMN1; SMN2TYRMAPK1
SCHEMBL22609190 0.80 ALOX5 (0.51) HTTALDH1A1MAPTTYRMAPK1
SCHEMBL10331729 0.79 ALDH1A1 (0.46) HTTALDH1A1MAPTMAPK1HPGD
SCHEMBL7196547 0.79 ALOX5 (0.54) HTTALDH1A1MAPTTYRMAPK1
SCHEMBL4803729 0.77 HTT (0.50) HTTALDH1A1MAPTSMN1; SMN2TYR
SCHEMBL2583180 0.77 HTT (0.54) HTTALDH1A1MAPTSMN1; SMN2TYR
SCHEMBL3185655 0.75 ERN1 (0.52) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL12581695 0.75 ERN1 (0.45) ALDH1A1MAPTTYRHPGDKDM4E
SCHEMBL1527069 0.75 BID (0.50) MAPTTYRKDM4EALOX15TSHR

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-0998899-A1 Use of butylhydroxytoluene for stabilizing of flavones, flavanones or flavonoids, and synergistic mixtures , cosmetic and dermatological preparations containing them Beiersdorf Aktiengesellschaft (DE) 2000-05-10 — — EP disclosed
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