SCHEMBL31395666

SCHEMBL31395666

CCc1oc2cccc(-c3ccccc3)c2c(=O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP2C9 P11712 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL13717954 0.84 AR (0.48) MAPTPTGS1PTGS2CA1CA2
SCHEMBL17718332 0.84 TTR (0.44) MAPTPTGS1PTGS2CA1CA2
SCHEMBL17657299 0.81 MAPT (0.36) MAPTPTGS1PTGS2CA1CA2
SCHEMBL8733 0.80 CA1 (0.59) MAPTCA1CA2CYP2C9ALDH1A1
SCHEMBL13545619 0.79 MAPT (0.54) MAPTPTGS1PTGS2CA1CA2
SCHEMBL22365669 0.78 MEN1 (0.56) MAPTCA1CA2CYP2C9ALDH1A1
SCHEMBL13717629 0.75 NMUR2 (0.40) CYP2C9ALDH1A1KDM4ERAB9AMEN1
SCHEMBL13826315 0.75 ALDH1A1 (0.43) MAPTCA1CA2ALDH1A1KDM4E
SCHEMBL13717990 0.74 AR (0.49) MAPTPTGS2CYP2C9ALDH1A1MEN1
SCHEMBL12921191 0.74 ALDH1A1 (0.55) MAPTCYP2C9ALDH1A1KDM4EMAOB

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-119752938-A Radix aquilariae sinensis 14-3-3 protein gene AsGRF1 and application thereof 北京中医药大学 2025-04-04 — — CN disclosed
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