SCHEMBL6009601

SCHEMBL6009601

CCOc1ccc2c(c1)[nH]c1cc(OCC)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
MAPT P10636 3/20 0.59
ESR2 Q92731 1/20 0.59
NQO1 P15559 1/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 2/20 0.51
PSMB8 P28062 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18487324 0.93 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL6009648 0.91 KIF11 (0.61) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL20434641 0.91 KIF11 (0.53) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL7250714 0.89 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL7253632 0.85 CTSV (0.66) HSD17B10ALDH1A1HPGDMAPTKDM4E
SCHEMBL17520087 0.85 CHUK (0.56) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL19583371 0.83 HSD17B10 (0.65) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL4486207 0.82 CTSV (0.70) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL14997053 0.82 MAPT (0.47) HSD17B10ALDH1A1HPGDMAPTESR2
SCHEMBL7031379 0.81 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDMAPTESR2

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
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed