SCHEMBL25837953

SCHEMBL25837953

COc1ccc2c(c1)Cc1cc(O)c3cc(C)ccc3c1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.40
MIF P14174 4/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 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
SCHEMBL25837994 0.95 METAP1 (0.38) METAP1MIFDRD2DRD1DRD5
SCHEMBL1817753 0.87 METAP1 (0.39) METAP1DRD2DRD1ALDH1A1ALOX15
SCHEMBL14267919 0.81 MIF (0.45) MIFALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL15869786 0.76 METAP1 (0.54) METAP1DRD2DRD1DRD5DRD3
SCHEMBL20306054 0.76 METAP1 (0.39) METAP1DRD2DRD1ALDH1A1ALOX15
SCHEMBL27500150 0.75 METAP1 (0.44) METAP1MIFDRD2DRD1DRD5
SCHEMBL27482978 0.75 METAP1 (0.44) METAP1MIFDRD2DRD1DRD5
SCHEMBL9899477 0.75 ESR1 (0.41) CA1CA2CA4CA6MEN1
SCHEMBL26032670 0.73 MAPT (0.37) ALDH1A1MEN1KMT2ANPC1CASP3
SCHEMBL15483667 0.72 METAP1 (0.63) METAP1MIFDRD2DRD1DRD5

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed