SCHEMBL28683049

SCHEMBL28683049

CC(O)COc1c(-c2ccccc2)cccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PNMT P11086 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 3/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CARM1 Q86X55 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.33
ANPEP P15144 2/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL2806274 0.83 LMNA (0.50) LMNAPNMTNPC1RAB9AADRB2
SCHEMBL21630335 0.80 PNMT (0.38) LMNAPNMTNPC1RAB9ACARM1
SCHEMBL28696289 0.78 LMNA (0.40) LMNAPNMTNPC1RAB9AADRB2
SCHEMBL30493148 0.76 LMNA (0.44) LMNAPNMTNPC1RAB9AMEN1
SCHEMBL28348127 0.76 KMT2A (0.36) LMNAPNMTNPC1RAB9AADRB2
SCHEMBL28683052 0.76 LMNA (0.38) LMNAPNMTNPC1RAB9ACARM1
Alcohol SCHEMBL27687637 0.76 PNMT (0.50) PNMTNPC1RAB9AANPEPIL1RN
SCHEMBL29691606 0.75 LMNA (0.47) LMNAPNMTNPC1RAB9AMEN1
SCHEMBL8681894 0.74 PNMT (0.40) LMNAPNMTNPC1RAB9AMEN1
SCHEMBL70992 0.73 PNMT (0.53) PNMTNPC1RAB9AANPEPIL1RN

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-114096611-A Epoxy resin composition 株式会社KCC 2022-02-25 CN disclosed