SCHEMBL29516754

SCHEMBL29516754

O=C1C(=Cc2ccc(O)c(O)c2)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 1.00
▸ KMT2A Q03164 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ ALPL P05186 1/20 0.68
▸ ALPI P09923 1/20 0.68
▸ ALPG P10696 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ STK17B O94768 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MIF P14174 1/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59

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
SCHEMBL28720187 1.00 LCK (1.00) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL4262154 0.91 LCK (0.84) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL22624945 0.81 KMT2A (1.00) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL22625286 0.80 LCK (0.66) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL6104911 0.80 LCK (0.67) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL20299553 0.79 LCK (0.66) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL25526240 0.79 LCK (0.66) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL4267530 0.79 TOP1 (0.76) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL4267528 0.79 TOP1 (0.76) LCKKMT2AMEN1ALDH1A1MAPT
SCHEMBL20299514 0.79 TUBB4A (0.84) LCKKMT2AMEN1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349743-A Heterocycle-containing orange ketone derivative and antibacterial application 中国科学院新疆理化技术研究所 2022-04-15 — — CN claimed
CN-114349743-A Heterocycle-containing orange ketone derivative and antibacterial application 中国科学院新疆理化技术研究所 2022-04-15 — — CN disclosed
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