SCHEMBL11575160

SCHEMBL11575160

CC(=O)CC(=O)Nc1ccc(CO)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ MAPT P10636 2/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GSTO1 P78417 8/20 0.40

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
SCHEMBL10704337 0.82 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL29402870 0.82 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL22574489 0.81 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7646766 0.81 CA1 (0.54) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7077786 0.79 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL11132359 0.79 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7888496 0.79 CASR (0.57) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL6024109 0.78 CA1 (0.54) KDM4EMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL22690281 0.78 TAAR1 (0.44) KDM4EKMT2ACA1CA2CA7
SCHEMBL22690282 0.78 TAAR1 (0.44) KDM4EKMT2ACA1CA2CA7

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
US-4125368-A Metallized monoazo dyes TOMS RIVER CHEMICAL CORP. (US) 1978-11-14 — — US disclosed
US-4058515-A Metallized phenyl-azo-naphthol compounds TOMS RIVER CHEMICAL CORPORATION (US) 1977-11-15 — — US disclosed
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