SCHEMBL10348263

SCHEMBL10348263

C=CCOC(=O)[C@@H](N)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 5/20 0.40
TPH1 P17752 2/20 0.40
SLC7A5 Q01650 2/20 0.39
CYP3A4 P08684 1/20 0.39
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38

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
Hydrochloric Acid SCHEMBL26128751 0.98 TPH1 (0.41) SMN1; SMN2DPP4TPH1SLC7A5CYP3A4
Hydrochloric Acid SCHEMBL26128753 0.98 TPH1 (0.41) SMN1; SMN2DPP4TPH1SLC7A5CYP3A4
SCHEMBL598432 0.86 SLC7A5 (0.56) DPP4SLC7A5CYP3A4ALDH1A1HSD17B10
SCHEMBL607242 0.86 SLC7A5 (0.56) DPP4SLC7A5CYP3A4ALDH1A1HSD17B10
SCHEMBL4268012 0.86 ALDH1A1 (0.42) DPP4TPH1SLC7A5CYP3A4DPP8
SCHEMBL1692431 0.84 ALPI (0.56) SLC7A5CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL2515423 0.84 ALPI (0.56) SLC7A5CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL1079463 0.84 ALPI (0.56) SLC7A5CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL19472012 0.82 SLC7A5 (0.51) SMN1; SMN2TPH1SLC7A5CYP3A4ALDH1A1
SCHEMBL29989838 0.82 SNCA (0.47) SMN1; SMN2DPP4SLC7A5CYP3A4TSHR

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-0364016-A1 Polyphosphazene polymers and their preparation Stichting Biomaterials Science Center, VU, "BSC-VU" (NL) 1990-04-18 EP disclosed