SCHEMBL14906285

SCHEMBL14906285

CNC(=O)C(OC)c1ccccc1COc1cc(C)ccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.47
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL15401610 0.89 BCHE (0.40) LPAR1KMT2ANPC1MEN1
SCHEMBL29368766 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL182597 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL29365871 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL29371189 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL16858325 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL29354984 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL230669 0.89 SMN1; SMN2 (0.45) LPAR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL15402402 0.89 FABP4 (0.46) LPAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2238398 0.87 FABP4 (0.47) LPAR1KMT2ANPC1MEN1ALDH1A1

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-2013062138-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 WO disclosed