SCHEMBL28529484

SCHEMBL28529484

CC(C)CCc1cc[c]cc1.[H+]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
DHODH Q02127 1/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24072 0.98 AOC3 (0.34) AOC3TSHRLMNAPKMHTT
SCHEMBL814842 0.84 GRIN2D (0.40) AOC3LMNAPKMHTTSMN1; SMN2
SCHEMBL814782 0.83 FUT7 (0.38) LMNAPKMSIGMAR1ALDH1A1KMT2A
SCHEMBL348349 0.82 LMNA (0.46) LMNAPKMHTTALDH1A1MEN1
SCHEMBL5204239 0.81 FUT7 (0.41) LMNAPKMSIGMAR1ALDH1A1
SCHEMBL1455235 0.81 FUT7 (0.41) LMNAPKMSIGMAR1ALDH1A1
SCHEMBL11116545 0.81 FUT7 (0.41) LMNAPKMSIGMAR1ALDH1A1
SCHEMBL941936 0.81 FUT7 (0.41) LMNAPKMSIGMAR1ALDH1A1
SCHEMBL941931 0.81 FUT7 (0.41) LMNAPKMSIGMAR1ALDH1A1
SCHEMBL8845221 0.80 TYR (0.40) TSHRLMNAHTTSMN1; SMN2KCNH2

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-106661331-B Die attach paste filled with single crystal alumina 汉高股份有限及两合公司 2020-10-23 CN disclosed