SCHEMBL20087697

SCHEMBL20087697

C[C@H](CS(=O)(=O)c1ccccc1)[C@H]1CCC2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.64
CASP7 P55210 3/20 0.62
EPHA2 P29317 3/20 0.62
TP53 P04637 2/20 0.62
MAPK1 P28482 2/20 0.62
HSD17B10 Q99714 2/20 0.62
BLM P54132 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 2/20 0.62
MDM4 O15151 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
HSPD1 P10809 1/20 0.62
VDR P11473 1/20 0.62
TSHR P16473 1/20 0.62
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
BRCA1 P38398 1/20 0.62
HSPE1 P61604 1/20 0.62
ST3GAL1 Q11201 1/20 0.62

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
SCHEMBL26403321 1.00 GPBAR1 (0.64) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL20087694 1.00 GPBAR1 (0.64) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL25479009 1.00 GPBAR1 (0.64) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL19430542 1.00 GPBAR1 (0.64) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL20088118 0.91 ST6GAL1 (0.67) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL19430280 0.86 GRIN2B (0.54) GPBAR1
SCHEMBL19430279 0.84 GPBAR1 (0.63) GPBAR1MAPK1HSD17B10CYP3A4MAPT
SCHEMBL20087704 0.84 GRIN2B (0.63) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL20087595 0.84 GRIN2B (0.63) GPBAR1CASP7EPHA2TP53MAPK1
SCHEMBL19430539 0.83 GRIN2A (0.56) GPBAR1EPHA2HSD17B10TDP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252848-A2 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-3529257-B1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
WO-2018075699-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed