SCHEMBL28258574

SCHEMBL28258574

OC(COc1ccccc1)Cn1cccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 1/20 0.61
LMNA P02545 3/20 0.59
CYP2D6 P10635 2/20 0.59
TSHR P16473 1/20 0.59
HIF1A Q16665 1/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AGER Q15109 1/20 0.54
DRD4 P21917 4/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
HPGD P15428 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRB2 P07550 1/20 0.50

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
SCHEMBL13810705 0.81 POLB (0.74) L3MBTL1KDM4ELMNAMAPTMEN1
SCHEMBL13810726 0.81 POLB (0.74) L3MBTL1KDM4ELMNAMAPTMEN1
SCHEMBL11711176 0.81 POLB (0.74) L3MBTL1KDM4ELMNAMAPTMEN1
SCHEMBL267463 0.80 LMNA (0.68) L3MBTL1KDM4ELMNACYP2D6TSHR
SCHEMBL11547527 0.79 KDM4E (0.57) L3MBTL1KDM4ELMNACYP2D6TSHR
SCHEMBL22640151 0.79 KDM4E (0.57) L3MBTL1KDM4ELMNACYP2D6TSHR
SCHEMBL11240406 0.79 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL4577971 0.79 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL3970369 0.79 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL14064868 0.77 LMNA (0.67) L3MBTL1KDM4ELMNACYP2D6TSHR

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-105102428-B Novel DPP-IV inhibitors DNJ制药有限公司 2018-11-16 CN disclosed