SCHEMBL3429443

SCHEMBL3429443

CC1=C(C)CC(CCCC(=O)N2CCc3ccccc3C2)=C(C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
NOTUM Q6P988 2/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NLRP3 Q96P20 1/20 0.51
MAPK1 P28482 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL26450841 0.80 NOTUM (0.66) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL6580790 0.79 HDAC3 (0.71) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL13059439 0.79 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL9138101 0.79 HDAC3 (0.71) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL1658749 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL4072403 0.77 HPGD (0.70) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL5389653 0.77 HPGD (0.70) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL6228768 0.77 HDAC3 (0.68) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL794685 0.76 HDAC3 (0.72) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL13487712 0.76 HDAC3 (0.67) HDAC3HDAC1HDAC10HDAC11HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed