SCHEMBL14095017

SCHEMBL14095017

CCOC(=O)/C(=C/C=C1/OCC(C)(C)N1C)Cc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CACNA1H O95180 1/20 0.31

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
SCHEMBL17445961 0.92 L3MBTL1 (0.35) MEN1KMT2AOPRM1MAPTALDH1A1
SCHEMBL14095018 0.79 ALDH1A1 (0.33) POLBALDH1A1HPGDCYP2C19
SCHEMBL17445964 0.79 GLO1 (0.38) MEN1KMT2APOLBDHODHMAPT
SCHEMBL21128883 0.79 GLO1 (0.38) MEN1KMT2APOLBDHODHMAPT
SCHEMBL14015982 0.77 CYP3A4 (0.34) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL17445954 0.74 MAPT (0.55) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL21128880 0.74 ALDH1A1 (0.39) MEN1KMT2AOPRM1MAPTALDH1A1
SCHEMBL17447694 0.74 ALDH1A1 (0.39) MEN1KMT2AOPRM1MAPTALDH1A1
SCHEMBL14015981 0.69 HTT (0.31) MEN1KMT2ATSHRGAAL3MBTL1
SCHEMBL17445965 0.68 PRKCA (0.33) POLBALDH1A1HPGDTSHRSMN1; SMN2

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-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
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