SCHEMBL14036882

SCHEMBL14036882

C1=C(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
ACMSD Q8TDX5 1/20 0.38
HTR7 P34969 4/20 0.37
HTR1A P08908 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL27250312 0.84 HSD17B10 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL22842433 0.82 PRSS1 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL26173111 0.82 CA12 (0.34) MCL1ACMSDHTR7HTR1ACA12
SCHEMBL12193133 0.81 HDAC8 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL23238991 0.80 ALDH1A1 (0.43) CA12CA1CA2CA9CHRNB2
SCHEMBL24261941 0.78 CA12 (0.37) MCL1ACMSDHTR7HTR1ACA12
SCHEMBL459641 0.77 CES1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL29987608 0.77 CES1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL7077942 0.77 TDP1 (0.41) CHRNB4CHRNA3ALDH1A1MAPTSMN1; SMN2
SCHEMBL21559837 0.77 NPC1 (0.39) CHRNB4CHRNA3ALDH1A1MAPTSMN1; SMN2

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-1988144-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2008-11-05 EP disclosed