SCHEMBL4960001

SCHEMBL4960001

CC(=O)Oc1ccc2cccc-2cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
GAA P10253 2/20 0.71
HSD17B10 Q99714 1/20 0.68
MAPT P10636 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
ELANE P08246 1/20 0.59
POLB P06746 2/20 0.56
HPGD P15428 1/20 0.56
PKM P14618 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HSP90AA1 P07900 1/20 0.55
GFER P55789 1/20 0.54
CYP3A4 P08684 1/20 0.53
BACE1 P56817 2/20 0.52
PTGS2 P35354 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL29399270 0.93 HSD17B10 (0.71) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL1713590 0.93 HSD17B10 (0.71) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL9154171 0.93 HSD17B10 (0.71) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL9158246 0.93 HSD17B10 (0.76) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL329365 0.93 HSD17B10 (0.76) LMNAGAAHSD17B10MAPTTDP1
Water SCHEMBL9344643 0.91 HSD17B10 (0.73) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL4607313 0.90 LMNA (0.71) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL30007042 0.88 HSD17B10 (0.59) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL23734827 0.87 LMNA (0.67) LMNAGAAHSD17B10MAPTTDP1
SCHEMBL8470717 0.87 LMNA (0.67) LMNAGAAHSD17B10MAPTTDP1

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-20080255024-A1 Mixture containing relaxing odors QUEST INTERNATIONAL B.V. 2008-10-16 US disclosed