SCHEMBL29996898

SCHEMBL29996898

CCOCCO/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
▸ ABCB11 O95342 4/20 0.76
▸ MAPT P10636 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
▸ GAA P10253 2/20 0.76
▸ MAPK1 P28482 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 0.99 ABCB11 (0.75) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL30478486 0.96 MAPT (0.76) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL30115796 0.95 ABCB11 (0.74) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29751810 0.95 ABCB11 (0.74) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29625757 0.95 MAPT (0.80) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29477244 0.94 ABCB11 (0.77) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29477247 0.94 ABCB11 (0.77) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29625733 0.94 MAPT (0.78) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL29477253 0.94 ABCB11 (0.76) ABCB11MAPTABCC4ABCC2CHRM1
SCHEMBL30478462 0.94 ABCB11 (0.76) ABCB11MAPTABCC4ABCC2CHRM1

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-11498503-B2 Vehicle airbag device, control method for vehicle airbag device, and storage medium TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2022-11-15 — — US disclosed
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