SCHEMBL20514910

SCHEMBL20514910

CC(=O)NCCC1=C(C)C(O)C(C)=C(C)C1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
F13A1 P00488 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.39
ACACB O00763 1/20 0.38
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
TSHR P16473 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL20514856 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPTTSHRMTNR1A
SCHEMBL20514880 0.73 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20514879 0.68 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL6707038 0.68 KDM4E (0.50) KDM4EF13A1ALDH1A1HIF1ASMN1; SMN2
SCHEMBL10592850 0.67 KDM4E (0.84) KDM4EF13A1ALDH1A1HIF1ASMN1; SMN2
SCHEMBL20514853 0.67 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6845396 0.65 KDM4E (0.72) KDM4EF13A1ALDH1A1HIF1ASMN1; SMN2
SCHEMBL661278 0.65 KDM4E (0.72) KDM4EF13A1ALDH1A1HIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL1421841 0.64 KDM4E (0.70) KDM4EF13A1ALDH1A1HIF1ASMN1; SMN2
SCHEMBL8107 0.64 KDM4E (0.71) KDM4EF13A1ALDH1A1HIF1ASMN1; 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-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed