SCHEMBL24104641

SCHEMBL24104641

CCC12CC[C@H](NC)C(C)(C)C1CC[C@]1(C)C2CCC2C3[C@H](C(C)C)CC[C@]3(C)CC[C@]21C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.42
NR1H4 Q96RI1 4/20 0.39
GPBAR1 Q8TDU6 11/20 0.39
PRKCD Q05655 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CES2 O00748 1/20 0.37
TOP2A P11388 1/20 0.37
PTPN1 P18031 1/20 0.37
CES1 P23141 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
SCHEMBL17817075 0.85 SLC10A1 (0.54) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL17832964 0.85 SLC10A1 (0.54) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL17832965 0.72 SLC10A1 (0.60) SLC10A1NR1H4GPBAR1PRKCD
SCHEMBL17817298 0.72 SLC10A1 (0.60) SLC10A1NR1H4GPBAR1PRKCD
SCHEMBL13384623 0.70 SLC10A1 (0.73) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL476921 0.70 SLC10A1 (0.73) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL13403268 0.70 SLC10A1 (0.73) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL17817073 0.70 SLC10A1 (0.55) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL476920 0.70 SLC10A1 (0.73) SLC10A1NR1H4GPBAR1PRKCDCES2
SCHEMBL13769854 0.70 SLC10A1 (0.55) SLC10A1NR1H4GPBAR1PRKCDCES2

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-2021252290-A2 COMPOSITIONS AND METHODS FOR TREATING NOVEL CORONAVIRUS SARS-COV-2-MEDIATED INFLAMMATORY CONDITIONS GRI BIO, INC. (US) 2021-12-16 WO disclosed