SCHEMBL795789

SCHEMBL795789

O=C1c2cc3ccccc3cc2C=c2cc3c(cc21)=CCC=C3

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
MPI P34949 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4543540 0.77 GAPDH (0.32) MEN1ALDH1A1LMNATP53POLB
SCHEMBL2591450 0.74 NPC1 (0.31) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL26205058 0.72 NQO1 (0.31)
SCHEMBL795788 0.72 MEN1 (0.30) MEN1ALDH1A1LMNATP53POLB
SCHEMBL30278813 0.68 NQO1 (0.31) ALDH1A1HSD17B10
SCHEMBL3444764 0.63 MEN1 (0.48) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL11775147 0.63
SCHEMBL4851502 0.62 ALDH1A1 (0.39) MEN1ALDH1A1LMNATP53POLB
SCHEMBL30130196 0.62 MEN1 (0.56) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL354514 0.62 MEN1 (0.56) NPC1RAB9AMEN1ALDH1A1LMNA

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
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed