SCHEMBL7756845

SCHEMBL7756845

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.76
NR1H4 Q96RI1 3/20 0.76
PDE3A Q14432 2/20 0.76
TBXA2R P21731 1/20 0.76
SLC10A2 Q12908 1/20 0.76
MAPT P10636 3/20 0.61
MAPK1 P28482 3/20 0.61
LMNA P02545 3/20 0.61
USP2 O75604 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP3A4 P08684 2/20 0.60
CASP7 P55210 3/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
BLM P54132 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MDM4 O15151 1/20 0.60
HSPD1 P10809 1/20 0.60
VDR P11473 1/20 0.60

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
SCHEMBL1654288 1.00 GPBAR1 (0.76) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL3447484 1.00 GPBAR1 (0.76) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL21594795 1.00 GPBAR1 (0.76) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL21631677 1.00 GPBAR1 (0.76) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL7996290 0.93 GPBAR1 (0.72) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL1635362 0.92 GPBAR1 (0.71) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL4281815 0.91 GPBAR1 (0.69) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL4433404 0.90 GPBAR1 (0.68) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL235606 0.89 GPBAR1 (0.77) GPBAR1NR1H4PDE3ATBXA2RSLC10A2
SCHEMBL235607 0.89 GPBAR1 (0.77) GPBAR1NR1H4PDE3ATBXA2RSLC10A2

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-1077992-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058549-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed