SCHEMBL19260808

SCHEMBL19260808

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2B Q13224 2/20 0.57
GRIN2C Q14957 2/20 0.57
GRIN1 Q05586 1/20 0.57
AKR1B10 O60218 3/20 0.55
AKR1B1 P15121 3/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
SRD5A2 P31213 1/20 0.52
CYP46A1 Q9Y6A2 1/20 0.52
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRA1 P14867 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRG2 P18507 4/20 0.50
GABRB3 P28472 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA3 P34903 4/20 0.50
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50

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
SCHEMBL7062550 1.00 GRIN2D (0.57) GRIN2DGRIN2AGRIN2BGRIN2CGRIN1
SCHEMBL17065133 0.86 AKR1B10 (0.58) GRIN2DGRIN2AGRIN2BGRIN2CGRIN1
SCHEMBL6446879 0.82 GRIN1 (0.49) GRIN2DGRIN2AGRIN2BGRIN2CGRIN1
SCHEMBL890668 0.81 AKR1B10 (0.63) AKR1B10AKR1B1GPBAR1SRD5A2GABRP
SCHEMBL1235822 0.81 AKR1B10 (0.63) AKR1B10AKR1B1GPBAR1SRD5A2GABRP
SCHEMBL4726566 0.81 CYP19A1 (0.56) AKR1B10AKR1B1GPBAR1G6PDCYP3A4
SCHEMBL4927255 0.81 CYP19A1 (0.56) AKR1B10AKR1B1GPBAR1G6PDCYP3A4
SCHEMBL3115619 0.78 AKR1B10 (0.60) AKR1B10AKR1B1GPBAR1SRD5A2GABRP
SCHEMBL3115610 0.78 AKR1B10 (0.60) AKR1B10AKR1B1GPBAR1SRD5A2GABRP
SCHEMBL9155552 0.78 AKR1B10 (0.58) AKR1B10AKR1B1GPBAR1SRD5A2GABRP

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-20190321443-A1 Modulators of MS4A activity PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-10-24 US disclosed
WO-2017143036-A1 MODULATORS OF MS4A ACTIVITY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 WO disclosed