SCHEMBL27852525

SCHEMBL27852525

CCOC(=O)C1C(CN2Oc3ccccc3O2)C1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 7/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL27852443 0.90 TSHR (0.43) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL3785359 0.76 ALDH1A1 (0.46) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL27869331 0.70 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TSHRCYP2C19
SCHEMBL24318061 0.69 KDM4E (0.51) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL28797481 0.68 SLC6A2 (0.43) KDM4EKMT2AALDH1A1TSHRCYP1A2
SCHEMBL27852493 0.66 BACE1 (0.38) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL3777633 0.66 ALDH1A1 (0.48) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL9128468 0.66 ALDH1A1 (0.54) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL32687865 0.66 ALDH1A1 (0.54) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL14193348 0.64 TSHR (0.54) KDM4EKMT2AMEN1ALDH1A1TSHR

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
CN-101415677-B Method for producing polycyclic lactams SUMITOMO CHEMICAL CO 2012-05-23 CN disclosed