SCHEMBL30478472

SCHEMBL30478472

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCOC(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.75
▸ ABCB11 O95342 4/20 0.75
▸ ABCC4 O15439 3/20 0.75
▸ ABCC2 Q92887 3/20 0.75
▸ GAA P10253 3/20 0.75
▸ MAPK1 P28482 3/20 0.75
▸ CHRM1 P11229 3/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ KDM4E B2RXH2 2/20 0.75
▸ MEN1 O00255 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ ABCC3 O15438 2/20 0.75
▸ SLCO2B1 O94956 2/20 0.75
▸ TBXA2R P21731 2/20 0.75
▸ ADRA1A P35348 2/20 0.75
▸ SLCO1A2 P46721 2/20 0.75
▸ SLCO1B3 Q9NPD5 2/20 0.75
▸ SLCO1B1 Q9Y6L6 2/20 0.75
▸ NR1I2 O75469 2/20 0.75

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
SCHEMBL29625733 0.93 MAPT (0.78) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL30478468 0.93 MAPT (0.74) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL30478486 0.93 MAPT (0.76) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29996898 0.93 ABCB11 (0.76) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL30141019 0.93 ABCB11 (0.75) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29477247 0.92 ABCB11 (0.77) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29477244 0.92 ABCB11 (0.77) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29625757 0.92 MAPT (0.80) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29625771 0.92 ABCB11 (0.80) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL30478462 0.92 ABCB11 (0.76) MAPTABCB11ABCC4ABCC2GAA

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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