SCHEMBL10062874

SCHEMBL10062874

COc1cc(/C=C2\CSC/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.73
LMNA P02545 5/20 0.73
HSD17B3 P37058 1/20 0.69
MAPT P10636 8/20 0.68
ALDH1A1 P00352 5/20 0.68
NPC1 O15118 3/20 0.68
MAPK1 P28482 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
RAB9A P51151 2/20 0.68
LY96 Q9Y6Y9 2/20 0.68
ATM Q13315 2/20 0.68
XBP1 P17861 2/20 0.68
PKM P14618 1/20 0.68
PAX8 Q06710 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
NOD2 Q9HC29 1/20 0.61
KDM4E B2RXH2 3/20 0.56
HTT P42858 3/20 0.54

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
SCHEMBL31432815 0.83 MAPT (0.74) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL22823103 0.82 SMN1; SMN2 (0.76) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL17899519 0.82 HSD17B3 (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL10062876 0.81 MAPT (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL11610072 0.81 MAPT (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL11610067 0.81 MAPT (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL17899502 0.79 MEN1 (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL17899559 0.79 LY96 (1.00) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1
SCHEMBL10063288 0.79 KMT2A (0.76) LMNAMAPTALDH1A1MAPK1TDP1
SCHEMBL14597262 0.76 LY96 (0.72) SMN1; SMN2LMNAHSD17B3MAPTALDH1A1

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
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed