Sugi Predict

Sugi Predict / Compounds / SCHEMBL28027396

SCHEMBL28027396

SCHEMBL28027396

COCCC1COc2cc(C)c(-c3cccc(CO)c3)c(C)c21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 20/20 0.40
▸ GNA15 P30679 1/20 0.37
▸ SLC10A1 Q14973 1/20 0.37
▸ ABCC2 Q92887 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL28027389 0.79 FFAR1 (0.72) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL28027955 0.79 FFAR1 (0.62) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL28027985 0.72 PRKCI (0.35) FFAR1
SCHEMBL28122530 0.71 PRKCI (0.35) FFAR1
SCHEMBL28027431 0.69 CD274 (0.42) FFAR1
SCHEMBL28838506 0.69 PRKCI (0.38) FFAR1
SCHEMBL28027367 0.69 ALDH1A1 (0.39) FFAR1
SCHEMBL28027418 0.68 PRKCI (0.34) FFAR1
SCHEMBL28027417 0.68 PRKCI (0.34) FFAR1
SCHEMBL28027986 0.68 MAOA (0.41) —

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
CN-104870429-B Benzofuran derivative, preparation method therefor, and medical application thereof 四川海思科制药有限公司 2017-05-03 — — CN disclosed
CN-104870429-A Benzofuran derivative, preparation method therefor, and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-08-26 — — CN disclosed