SCHEMBL479186

SCHEMBL479186

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 1.00
VDR P11473 5/20 0.81
USP2 O75604 2/20 0.65
ABCC4 O15439 1/20 0.63
CASP7 P55210 3/20 0.62
TP53 P04637 2/20 0.62
MAPK1 P28482 2/20 0.62
HSD17B10 Q99714 2/20 0.62
GPBAR1 Q8TDU6 2/20 0.62
BLM P54132 2/20 0.62
TDP1 Q9NUW8 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
TSHR P16473 1/20 0.62
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
EPHA2 P29317 1/20 0.62
BRCA1 P38398 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
SCHEMBL16103960 1.00 NR1H4 (1.00) NR1H4VDRUSP2ABCC4CASP7
SCHEMBL8130893 0.91 NR1H4 (1.00) NR1H4VDRUSP2ABCC4CASP7
SCHEMBL8139937 0.90 NR1H4 (1.00) NR1H4VDRGPBAR1TDP1CYP3A4
SCHEMBL27719139 0.89 VDR (1.00) NR1H4VDRUSP2ABCC4CASP7
SCHEMBL1653677 0.89 VDR (1.00) NR1H4VDRUSP2ABCC4CASP7
SCHEMBL11410558 0.89 NR1H4 (0.79) NR1H4VDR
SCHEMBL3391119 0.89 NR1H4 (0.79) NR1H4VDR
SCHEMBL26642428 0.89 NR1H4 (0.79) NR1H4VDR
SCHEMBL30653065 0.89 NR1H4 (0.79) NR1H4VDR
SCHEMBL26642434 0.89 NR1H4 (0.79) NR1H4VDR

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-2077855-B1 THERAPEUTIC USE OF GBA2 YILDIZ DR MED YILDIZ (DE) 2012-02-01 EP disclosed
EP-2077855-A1 THERAPEUTIC USE OF GBA2 Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2009-07-15 EP disclosed
WO-2008053025-A1 THERAPEUTIC USE OF GBA2 RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2008-05-08 WO disclosed