SCHEMBL17832964

SCHEMBL17832964

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.54
GPBAR1 Q8TDU6 14/20 0.53
PRKCD Q05655 1/20 0.53
NR1H4 Q96RI1 2/20 0.50
PTPN1 P18031 2/20 0.49
CES2 O00748 1/20 0.49
TOP2A P11388 1/20 0.49
CES1 P23141 1/20 0.49

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
SCHEMBL17817075 1.00 SLC10A1 (0.54) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL476921 0.85 SLC10A1 (0.73) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL13384623 0.85 SLC10A1 (0.73) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL13403268 0.85 SLC10A1 (0.73) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL476920 0.85 SLC10A1 (0.73) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL17817073 0.85 SLC10A1 (0.55) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL24104641 0.85 SLC10A1 (0.42) SLC10A1GPBAR1PRKCDNR1H4PTPN1
SCHEMBL17832966 0.85 PTPN1 (0.52) SLC10A1GPBAR1PRKCDPTPN1CES2
SCHEMBL17817298 0.84 SLC10A1 (0.60) SLC10A1GPBAR1PRKCDNR1H4
SCHEMBL17832965 0.84 SLC10A1 (0.60) 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