SCHEMBL19732941

SCHEMBL19732941

CC1=C(C(=O)O)C(c2cccc(C(F)(F)F)c2)NC(=O)N1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.77
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.53
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.50
KIF11 P52732 1/20 0.50
PTGES O14684 1/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL19732940 1.00 GUSB (0.77) GUSBUSP2TSHRHTTMAPT
SCHEMBL19752625 0.85 GUSB (0.80) GUSBTSHRPKMKIF11PTGES
SCHEMBL19752624 0.85 GUSB (0.80) GUSBTSHRPKMKIF11PTGES
SCHEMBL2572783 0.84 TSHR (0.66) GUSBUSP2TSHRMAPTALDH1A1
SCHEMBL14413255 0.83 PKM (0.68) GUSBUSP2HTTPKMKIF11
SCHEMBL19732936 0.83 PKM (0.68) GUSBUSP2HTTPKMKIF11
SCHEMBL3398149 0.82 KIF11 (0.71) GUSBUSP2HTTSMN1; SMN2PKM
SCHEMBL19732923 0.81 USP2 (0.79) USP2TSHRMAPTALDH1A1HSD17B10
SCHEMBL19732955 0.81 USP2 (0.79) USP2TSHRMAPTALDH1A1HSD17B10
SCHEMBL13789190 0.81 USP2 (0.79) USP2TSHRMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3260446-A1 ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES Universitat de les Illes Balears (ES) 2017-12-27 EP disclosed