SCHEMBL27701150

SCHEMBL27701150

CC(=O)c1cccc(N(O)C(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 9/20 0.48
▸ AKR1C2 P52895 8/20 0.48
▸ AKR1B10 O60218 2/20 0.48
▸ AKR1B1 P15121 2/20 0.48
▸ AKR1C4 P17516 2/20 0.48
▸ AKR1C1 Q04828 2/20 0.48
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PYGM P11217 1/20 0.39

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
SCHEMBL23864713 0.81 KDM4E (0.36) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL23864317 0.79 CASP3 (0.36) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL23864289 0.76 HIF1A (0.43) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL24166924 0.74 ALDH1A1 (0.42) POLBKMT2AMEN1ALDH1A1ALOX15
SCHEMBL3860177 0.73 HPGD (0.56) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL17681587 0.73 CA12 (0.47) AKR1C3POLBKMT2AMEN1ALDH1A1
SCHEMBL23864607 0.72 HPGD (0.49) ALDH1A1KDM4EHPGD
SCHEMBL23864419 0.71 CRHBP (0.37) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL23864250 0.71 LOXL2 (0.39) KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL4662625 0.71 NPSR1 (0.49) POLBKMT2AMEN1CREBBPALDH1A1

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-101087601-A Compounds for inhibiting copper-containing amine oxidases and uses thereof GENMEDICA THERAPEUTICS SL (ES) 2007-12-12 — — CN disclosed
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