SCHEMBL14356353

SCHEMBL14356353

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)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 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 5/20 0.80
▸ MAPT P10636 4/20 0.80
▸ ABCC4 O15439 4/20 0.80
▸ ABCC2 Q92887 4/20 0.80
▸ TBXA2R P21731 3/20 0.80
▸ GAA P10253 3/20 0.80
▸ MAPK1 P28482 3/20 0.80
▸ ABCC3 O15438 3/20 0.80
▸ CHRM1 P11229 3/20 0.80
▸ NR1I2 O75469 3/20 0.80
▸ ALDH1A1 P00352 2/20 0.80
▸ SLCO2B1 O94956 2/20 0.80
▸ ADRA1A P35348 2/20 0.80
▸ SLCO1A2 P46721 2/20 0.80
▸ SLCO1B3 Q9NPD5 2/20 0.80
▸ SLCO1B1 Q9Y6L6 2/20 0.80
▸ KDM4E B2RXH2 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80

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
SCHEMBL13302850 1.00 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL30063061 1.00 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL29534651 1.00 ABCB11 (0.80) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL14252218 0.94 ABCB11 (0.79) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23541658 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23541652 0.93 MAPT (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23594215 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL29559659 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL23510705 0.93 MAPT (0.83) ABCB11MAPTABCC4ABCC2TBXA2R
SCHEMBL31447566 0.93 ABCB11 (0.83) ABCB11MAPTABCC4ABCC2TBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 — — US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 — — US disclosed
Send feedback