SCHEMBL9848740

SCHEMBL9848740

CCCOC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3)co2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
POLB P06746 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
SMO Q99835 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4869387 0.85 PLAU (0.51) HSD17B1HSD17B2MAPTNPC1LMNA
SCHEMBL4874528 0.81 CTRC (0.55) HSD17B1HSD17B2NPC1RAB9ASMO
SCHEMBL7215537 0.78 TARBP2 (0.55) MAPTNPC1LMNAPOLBALDH1A1
SCHEMBL29215373 0.78 PLAU (0.49) HSD17B1HSD17B2MAPTNPC1RAB9A
SCHEMBL9440525 0.73 SIRT2 (0.47) MAPTNPC1LMNAPOLBALDH1A1
SCHEMBL7217126 0.72 ENPP3 (0.54) MAPTNPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL7221501 0.72 MAPT (0.54) HSD17B1HSD17B2MAPTNPC1ALDH1A1
SCHEMBL7221944 0.72 ALDH1A1 (0.54) MAPTNPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL12170948 0.72 NPC1 (0.66) HSD17B1HSD17B2MAPTNPC1SMN1; SMN2
SCHEMBL6057368 0.72 LMNA (0.64) MAPTNPC1LMNAADORA3POLB

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-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed