SCHEMBL31429622

SCHEMBL31429622

O=C(Cl)c1cccc(O)c1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ P2RX1 P51575 3/20 0.38
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HMGB1 P09429 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NAPRT Q6XQN6 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL27040982 0.84 ALDH1A1 (0.48) ALDH1A1ALOX15MAOAMAOBHPGD
SCHEMBL24436718 0.83 THRB (0.42) ALDH1A1P2RX1MAOAMAOBCA12
SCHEMBL27630883 0.83 ALDH1A1 (0.42) ALDH1A1ALOX15P2RX1KDM4ETSHR
SCHEMBL24445844 0.80 LMNA (0.56) ALDH1A1P2RX1KDM4ECA12CA1
SCHEMBL27675720 0.79 MAPT (0.40) ALDH1A1ALOX15P2RX1MAOAMAOB
SCHEMBL16961273 0.79 MEN1 (0.34) ALDH1A1ALOX15P2RX1MAOAMAOB
SCHEMBL28089519 0.76 KLK1 (0.37) ALDH1A1P2RX1MAOAMAOBHPGD
SCHEMBL2091798 0.74 TSHR (0.45) ALDH1A1ALOX15P2RX1HPGDCA1
SCHEMBL249223 0.73 KCNK3 (0.49) ALDH1A1ALOX15KCNK3KCNK9
SCHEMBL1793852 0.72 ALDH1A1 (0.44) ALDH1A1ALOX15KCNK3KCNK9P2RX7

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-119350422-B Deubiquitinase targeting chimeric compound and preparation method and application thereof 中国药科大学 2025-04-04 — — CN disclosed
CN-119350422-A Deubiquitinase targeting chimeric compound and preparation method and application thereof 中国药科大学 2025-01-24 — — CN disclosed
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