SCHEMBL22802804

SCHEMBL22802804

C1CCCCC(CNC2CCCCCCCC2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GLB1 P16278 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAN1B1 Q9UKM7 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41

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
SCHEMBL3439907 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL2365014 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL22899939 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL22693050 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL23744926 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL22790746 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL24514269 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL24379883 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL22790745 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A
SCHEMBL5200918 1.00 EPHX1 (0.48) EPHX1KDM4EADH1BADH1CADH1A

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-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed