SCHEMBL9735580

SCHEMBL9735580

CNCCc1ccc2c(c1)OOCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 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
SCHEMBL1573303 0.84 CHRM2 (0.36) MAPTKDM4ECHRM2CHRM1CHRM3
SCHEMBL8950647 0.84 MAPT (0.45) ATMPOLBMAPTTP53CYP1A2
SCHEMBL3259875 0.78 SLC6A2 (0.40) TP53HIF1AHSD17B10KDM4EALDH1A1
SCHEMBL5467529 0.77 TAAR1 (0.55) TAAR1SIGMAR1
SCHEMBL9426372 0.75 POLB (0.46) ATMPOLBMAPTTP53CYP1A2
SCHEMBL25842041 0.75 CHRM2 (0.36) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL4559892 0.74 CHRM2 (0.37) HIF1ACHRM2CHRM1CHRM3CHRNB2
SCHEMBL8828502 0.72 CYP1A2 (0.38) MAPTTP53CYP1A2TSHRALDH1A1
SCHEMBL9608844 0.72 LMNA (0.52) POLBMAPTTP53CYP1A2ALOX15
SCHEMBL20382692 0.72 MAPT (0.52) ATMPOLBMAPTTP53CYP1A2

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-5120759-A TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY HOFFMANN-LA ROCHE INC. (US) 1992-06-09 US disclosed