SCHEMBL9636455

SCHEMBL9636455

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC(O)(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.72
ABCC4 O15439 5/20 0.72
VDR P11473 2/20 0.72
NR1H4 Q96RI1 4/20 0.62
EPHA2 P29317 2/20 0.61
SLC10A2 Q12908 3/20 0.59
ABCB11 O95342 1/20 0.59
PLA2G1B P04054 1/20 0.59
ENPP2 Q13822 1/20 0.59
SLC10A1 Q14973 3/20 0.54
ABCC1 P33527 1/20 0.53

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
SCHEMBL8769124 0.92 GPBAR1 (0.61) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL5667769 0.88 GPBAR1 (0.74) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL6698178 0.88 GPBAR1 (0.74) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL19360934 0.88 GPBAR1 (0.79) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL22727926 0.88 GPBAR1 (0.79) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL25170335 0.88 GPBAR1 (0.79) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL6369959 0.88 GPBAR1 (0.79) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL17641180 0.88 GPBAR1 (0.79) GPBAR1ABCC4VDRNR1H4EPHA2
SCHEMBL7146262 0.86 GPBAR1 (0.70) GPBAR1ABCC4VDRNR1H4EPHA2
Taurolithocholic Acid SCHEMBL22727921 0.83 GPBAR1 (1.00) GPBAR1ABCC4VDRNR1H4EPHA2

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
EP-0286367-B1 STABILIZATION OF BETA-GALACTOSIDASE PEPTIDE FRAGMENTS MICROGENICS CORPORATION (a Delaware corporation) (US) 1992-07-08 EP disclosed
EP-0286367-A2 Stabilization of beta-galactosidase peptide fragments MICROGENICS CORPORATION (a Delaware corporation) (US) 1988-10-12 EP disclosed