SCHEMBL30587342

SCHEMBL30587342

CCc1c(OC(C)=O)ccc(OC(C)=O)c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CFD P00746 2/20 0.46
AKT1 P31749 1/20 0.45
PTGS2 P35354 6/20 0.44
PTGS1 P23219 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
GGT1 P19440 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NCEH1 Q6PIU2 1/20 0.44

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
SCHEMBL29058037 1.00 KDM4E (0.47) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL27496747 0.87 PTGS2 (0.50) KDM4ETSHRALDH1A1RAB9APTGS2
SCHEMBL11449450 0.83 KDM4E (0.44) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL3283035 0.83 TSHR (0.46) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6971645 0.82 TSHR (0.45) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6975036 0.82 PIM1 (0.45) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL15309678 0.81 ELANE (0.42) KDM4ETSHRALDH1A1AKT1PTGS1
SCHEMBL6016708 0.81 PTPN1 (0.54) KDM4ETSHRALDH1A1RAB9APTGS2
SCHEMBL8984373 0.81 ACHE (0.47) KDM4ETSHRALDH1A1RAB9APTGS2
SCHEMBL28680212 0.80 CFD (0.50) KDM4ETSHRALDH1A1GAARAB9A

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
CN-111542736-B Temperature detecting material and estimation system for temperature deviation time using the same 株式会社日立产机系统 2023-08-29 CN disclosed