SCHEMBL10520443

SCHEMBL10520443

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](OC(=O)CN(CCCl)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.65
NR1H4 Q96RI1 4/20 0.65
SLC10A1 Q14973 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ABCB11 O95342 2/20 0.65
SLC10A2 Q12908 2/20 0.65
LMNA P02545 1/20 0.65
CYP2C19 P33261 1/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
ADRA1A P35348 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ENPP2 Q13822 1/20 0.65
CISD1 Q9NZ45 1/20 0.65
CYP3A4 P08684 1/20 0.65
USP2 O75604 1/20 0.56
VDR P11473 1/20 0.56

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
SCHEMBL10520790 1.00 GPBAR1 (0.65) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10522030 0.93 GPBAR1 (0.66) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10525788 0.92 GPBAR1 (0.63) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10520272 0.91 GPBAR1 (0.67) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10691725 0.91 GPBAR1 (0.61) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10611726 0.89 GPBAR1 (0.68) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10611421 0.89 GPBAR1 (0.68) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL10519154 0.88 GPBAR1 (0.71) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL2308702 0.86 GPBAR1 (0.71) GPBAR1NR1H4SLC10A1MEN1KMT2A
SCHEMBL23231228 0.86 GPBAR1 (0.81) GPBAR1NR1H4SLC10A1MEN1KMT2A

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-4810422-A CARCINOSTATS OF LOW TOXICITY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-07 US disclosed
EP-0259185-A1 Bile acid derivatives, their salts and production thereof WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1988-03-09 EP disclosed