SCHEMBL3341121

SCHEMBL3341121

CCOC(=O)c1ccc(OC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
EPHX2 P34913 2/20 0.51
KMT2A Q03164 3/20 0.49
ADRB2 P07550 2/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRD5A1 P18405 1/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SRD5A2 P31213 1/20 0.47
FDFT1 P37268 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPY2R P49146 1/20 0.46

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
SCHEMBL11756971 0.87 LMNA (0.61) POLBEPHX2TDP1LMNACYP1A2
SCHEMBL24244916 0.86 SCN1A (0.56) POLBEPHX2KMT2AADRB2MEN1
SCHEMBL22694560 0.85 KMT2A (0.51) EPHX2KMT2AADRB2MEN1SRD5A1
SCHEMBL1375168 0.84 GPR119 (0.61) POLBEPHX2MAPT
SCHEMBL6135447 0.84 ALDH1A1 (0.55) POLBEPHX2KMT2ASRD5A1SCN1A
SCHEMBL11758763 0.83 PARP10 (0.59) EPHX2KMT2AADRB2MEN1LMNA
SCHEMBL17869387 0.83 SCN1A (0.51) POLBEPHX2LMNACYP1A2CYP3A4
SCHEMBL3910337 0.82 SCN1A (0.58) POLBEPHX2LMNACYP1A2CYP3A4
SCHEMBL4682743 0.82 SRD5A1 (0.67) EPHX2KMT2ATDP1SRD5A1LMNA
SCHEMBL2636897 0.82 EPHX2 (0.60) EPHX2KMT2AMEN1SRD5A1SRD5A2

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-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed