SCHEMBL17832965

SCHEMBL17832965

CN[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@H](C(C)C)CC[C@]4(COC)CC[C@]23C)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.60
GPBAR1 Q8TDU6 15/20 0.51
PRKCD Q05655 1/20 0.49
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL17817298 1.00 SLC10A1 (0.60) SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17817305 0.87 SLC10A1 (0.43) SLC10A1GPBAR1
SCHEMBL17817311 0.87 SLC10A1 (0.43) SLC10A1GPBAR1
SCHEMBL3786701 0.86 SLC10A1 (0.62) SLC10A1GPBAR1PRKCD
SCHEMBL17817302 0.86 SLC10A1 (0.62) SLC10A1GPBAR1PRKCD
SCHEMBL3781420 0.86 SLC10A1 (0.80) SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL23016840 0.85 PTPN1 (0.43) SLC10A1GPBAR1
SCHEMBL23016841 0.85 PTPN1 (0.43) SLC10A1GPBAR1
SCHEMBL17832964 0.84 SLC10A1 (0.54) SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17817075 0.84 SLC10A1 (0.54) SLC10A1GPBAR1PRKCDNR1H4

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed