SCHEMBL29907949

SCHEMBL29907949

CN=C(C)C(C(=O)OC)C(=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.37

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
SCHEMBL3044469 0.82 MAPT (0.39) HSD17B10KMT2AMEN1LMNAMAPT
SCHEMBL16502242 0.82 KMT2A (0.45) KMT2ALMNAMAPTALDH1A1GAA
SCHEMBL13828453 0.80 SMN1; SMN2 (0.45) KMT2ALMNAMAPTALDH1A1RAB9A
SCHEMBL3707301 0.79 GSK3B (0.46) KMT2AMEN1SLC6A3MAPTALDH1A1
SCHEMBL3707298 0.79 GSK3B (0.46) KMT2AMEN1SLC6A3MAPTALDH1A1
SCHEMBL3710894 0.76 SIRT1 (0.39) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL3710891 0.76 SIRT1 (0.39) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL2292755 0.74 CHRNA1 (0.54) KMT2AMEN1SLC6A2SLC6A3MAPT
SCHEMBL2292750 0.74 CHRNA1 (0.54) KMT2AMEN1SLC6A2SLC6A3MAPT
SCHEMBL3701610 0.74 NAPRT (0.43) KMT2AMEN1MAPTGAAPOLB

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
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 WO disclosed