SCHEMBL30988931

SCHEMBL30988931

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(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 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.81
▸ ABCB11 O95342 4/20 0.81
▸ GAA P10253 3/20 0.81
▸ MAPK1 P28482 3/20 0.81
▸ ABCC3 O15438 3/20 0.81
▸ ABCC4 O15439 3/20 0.81
▸ ABCC2 Q92887 3/20 0.81
▸ TBXA2R P21731 3/20 0.81
▸ NR1I2 O75469 3/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ KDM4E B2RXH2 2/20 0.81
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ SLCO2B1 O94956 2/20 0.81
▸ CHRM1 P11229 2/20 0.81
▸ ADRA1A P35348 2/20 0.81
▸ SLCO1A2 P46721 2/20 0.81
▸ SLCO1B3 Q9NPD5 2/20 0.81
▸ SLCO1B1 Q9Y6L6 2/20 0.81

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
SCHEMBL23541658 0.94 ABCB11 (0.83) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL23541652 0.94 MAPT (0.83) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL23594215 0.94 ABCB11 (0.83) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL23510705 0.94 MAPT (0.83) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL29559659 0.94 ABCB11 (0.83) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL16273790 0.93 MAPT (0.77) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL30063061 0.92 ABCB11 (0.80) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL13302850 0.92 ABCB11 (0.80) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL14356353 0.92 ABCB11 (0.80) MAPTABCB11GAAMAPK1ABCC3
SCHEMBL29534651 0.92 ABCB11 (0.80) MAPTABCB11GAAMAPK1ABCC3

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-118344384-A Compounds and uses thereof 丹诺医药(苏州)有限公司 2024-07-16 — — CN disclosed
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