SCHEMBL28034398

SCHEMBL28034398

CC(C)c1cc(Cn2nc3ccccc3n2)c(O)c(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ LMNA P02545 5/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ BCL2 P10415 2/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ FABP3 P05413 2/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ GABRB1 P18505 3/20 0.34
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRA6 Q16445 2/20 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
SCHEMBL10292364 0.80 LMNA (0.53) NPC1RAB9ALMNATSHRALDH1A1
SCHEMBL27529319 0.79 RAB9A (0.39) GABRA1GABRB2NPC1RAB9ALMNA
SCHEMBL27529317 0.78 NPC1 (0.41) GABRA1GABRB2NPC1RAB9ALMNA
SCHEMBL4357048 0.77 NPC1 (0.50) GABRA1GABRB2NPC1RAB9ACA1
SCHEMBL20363907 0.73 NPC1 (0.47) GABRA1GABRB2NPC1RAB9ALMNA
SCHEMBL28344569 0.73 NPC1 (0.44) GABRA1GABRB2NPC1RAB9ACA1
SCHEMBL26658010 0.72 NPC1 (0.46) GABRA1GABRB2NPC1RAB9ALMNA
SCHEMBL8897499 0.71 GABRA1 (0.61) GABRA1GABRB2CA1CA2LMNA
SCHEMBL29373203 0.71 NPC1 (0.42) GABRA1GABRB2NPC1RAB9ACA1
SCHEMBL28344571 0.71 NPC1 (0.42) GABRA1GABRB2NPC1RAB9ACA1

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-105315901-A Actinic radiation and moisture dual curable composition DYMAX CORP 2016-02-10 — — CN disclosed
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