SCHEMBL30478486

SCHEMBL30478486

COCCOCCO/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.76
▸ ABCB11 O95342 4/20 0.76
▸ GAA P10253 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ ABCC4 O15439 3/20 0.76
▸ ABCC2 Q92887 3/20 0.76
▸ CHRM1 P11229 3/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ ABCC3 O15438 2/20 0.76
▸ SLCO2B1 O94956 2/20 0.76
▸ TBXA2R P21731 2/20 0.76
▸ ADRA1A P35348 2/20 0.76
▸ SLCO1A2 P46721 2/20 0.76
▸ SLCO1B3 Q9NPD5 2/20 0.76
▸ SLCO1B1 Q9Y6L6 2/20 0.76
▸ NR1I2 O75469 2/20 0.76

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
SCHEMBL30141019 0.96 ABCB11 (0.75) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29996898 0.96 ABCB11 (0.76) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL30115796 0.95 ABCB11 (0.74) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29751810 0.95 ABCB11 (0.74) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29625733 0.94 MAPT (0.78) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL30478472 0.93 MAPT (0.75) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29477247 0.93 ABCB11 (0.77) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29477244 0.93 ABCB11 (0.77) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL29625757 0.93 MAPT (0.80) MAPTABCB11GAAMAPK1ABCC4
SCHEMBL30478471 0.92 ABCB11 (0.76) MAPTABCB11GAAMAPK1ABCC4

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
CN-116515996-A Kit for screening colorectal cancer and adenoma in progressive stage 上海伯豪生物技术有限公司 2023-08-01 — — CN disclosed
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