SCHEMBL28113600

SCHEMBL28113600

Cc1c(CC(Cc2ccccc2)OC=O)n[nH]c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSH P09668 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28103059 0.80 CTSK (0.34) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL18085416 0.76 EPHX1 (0.48) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28113598 0.74 CTSK (0.34) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL27498107 0.74 BRD4 (0.42) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL28113592 0.72 TSHR (0.42) CTSKMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL28113594 0.71 TDP1 (0.38) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28045730 0.70 CTSK (0.37) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL27698547 0.69 PNP (0.36) CTSKPOLBCYP2C9CYP2C19BLM
SCHEMBL28045695 0.69 CTSK (0.34) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28095278 0.68 CTSK (0.54) CTSKCTSLCTSBMEN1KMT2A

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-106304835-A Sgc stimulant 铁木医药有限公司 2017-01-04 CN disclosed