SCHEMBL10494234

SCHEMBL10494234

COc1cc(OC)c2c(c1OC)C(=O)C(O)=CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ TSHR P16473 1/20 0.37
▸ TOP1 P11387 4/20 0.37
▸ TPMT P51580 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL10494242 0.80 XIAP (0.37) MAPTEPHX2ALDH1A1GAAHTT
SCHEMBL30002739 0.79 MAPT (0.52) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL9176608 0.79 MAPT (0.52) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL10494191 0.79 EPHX2 (0.56) MAPTCYP3A4EPHX2ALDH1A1HTT
SCHEMBL19303777 0.78 EGFR (0.38) MAPTCYP3A4ALDH1A1GAAHTT
SCHEMBL5821723 0.78 EPHX2 (0.57) MAPTCYP3A4EPHX2GRIN2DGRIN3B
SCHEMBL19303800 0.75 ESR1 (0.37) MAPTCYP3A4ALDH1A1GAAHTT
SCHEMBL5820817 0.75 PIM1 (0.41) MAPTEPHX2ALDH1A1GAAKDM4E
SCHEMBL27636156 0.74 TOP1 (0.53) MAPTCYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL5820540 0.73 PTGS2 (0.39) MAPTCYP3A4ALDH1A1GAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 — — US claimed
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 — — US disclosed
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