SCHEMBL10832913

SCHEMBL10832913

Cc1nc(-c2ccccc2C(F)(F)F)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
C1R P00736 1/20 0.42
NOTUM Q6P988 2/20 0.42
PSMB8 P28062 1/20 0.42
DPP4 P27487 1/20 0.42
CRHR1 P34998 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10833670 0.80 HSD11B1 (0.42) HSD11B1L3MBTL1NPC1MAPTC1R
SCHEMBL5548035 0.77 MBNL1 (0.47) L3MBTL1NPC1MAPTC1RNOTUM
SCHEMBL10834073 0.75 AKR1C3 (0.48) HSD11B1L3MBTL1C1RNOTUMPSMB8
SCHEMBL10834069 0.74 FFAR1 (0.45) C1RTDP1ALDH1A1
SCHEMBL5541542 0.74 MAPT (0.49) HSD11B1L3MBTL1NPC1MAPTTSHR
SCHEMBL24910269 0.72 HSD11B1 (0.43) HSD11B1L3MBTL1C1RNOTUMPSMB8
SCHEMBL10832531 0.72 GPBAR1 (0.38) NPC1MAPTC1RPTPN1ALDH1A1
SCHEMBL6344165 0.71 PIK3R1 (0.50) HSD11B1L3MBTL1NPC1MAPTC1R
SCHEMBL28302854 0.70 DPP4 (0.45) HSD11B1C1RNOTUMPSMB8DPP4
SCHEMBL15495466 0.70 PDK2 (0.53) HSD11B1L3MBTL1NPC1MAPTNOTUM

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-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 EP disclosed