SCHEMBL1980329

SCHEMBL1980329

CCOC(=O)C1(NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL21789124 0.82 EPHX2 (0.47) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL26981939 0.80 NPSR1 (0.48) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16839934 0.80 OPRM1 (0.44) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16838934 0.79 SMN1; SMN2 (0.47) MEN1KMT2AMAPTSMN1; SMN2OPRM1
SCHEMBL16839728 0.78 POLB (0.53) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1616598 0.78 PDCD1 (0.43) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL16838968 0.78 CTSL (0.44) MEN1KMT2AMAPTSMN1; SMN2OPRM1
SCHEMBL1976788 0.77 SMN1; SMN2 (0.55) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16112268 0.76 KDM4E (0.43) MEN1KMT2AMAPTSMN1; SMN2OPRM1
Hydrochloric Acid SCHEMBL29927800 0.76 ALDH1A1 (0.45) POLBMEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed