SCHEMBL6345841

SCHEMBL6345841

CC(C)Cc1ccc(N)c(Cc2ccccc2O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.57
GABRB2 P47870 2/20 0.57
HSPA5 P11021 1/20 0.47
KEAP1 Q14145 1/20 0.44
SLC7A5 Q01650 1/20 0.42
ALOX5AP P20292 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 3/20 0.37
ALOX12 P18054 3/20 0.37

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
SCHEMBL6347331 0.83 HSPA5 (0.52) HSPA5KEAP1POLBMAPTRAB9A
SCHEMBL6279163 0.82 GABRA1 (0.61) GABRA1GABRB2HSPA5KEAP1SLC7A5
SCHEMBL4799003 0.79 KEAP1 (0.63) GABRA1GABRB2HSPA5KEAP1SLC7A5
SCHEMBL30979255 0.78 GABRA1 (0.69) GABRA1GABRB2KEAP1SLC7A5ALOX5AP
SCHEMBL13708433 0.78 GABRA1 (0.69) GABRA1GABRB2HSPA5KEAP1SLC7A5
SCHEMBL6338209 0.78 SKP2 (0.50) HSPA5KEAP1RAB9AMAPK1NPSR1
SCHEMBL3638974 0.78 GABRA1 (0.63) GABRA1GABRB2HSPA5KEAP1SLC7A5
SCHEMBL6338698 0.76 HSPA5 (0.55) HSPA5KEAP1MAPTNPSR1ALOX15
SCHEMBL12110846 0.76 HSPA5 (0.59) HSPA5KEAP1POLBMAPTRAB9A
SCHEMBL13708432 0.75 GABRA1 (0.59) GABRA1GABRB2HSPA5KEAP1SLC7A5

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
US-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed