SCHEMBL31433394

SCHEMBL31433394

O=C(O)NC(=O)c1ccc(C(=O)NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HDAC3 O15379 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
IDO1 P14902 1/20 0.46
ALOX15 P16050 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL6993793 0.92 TSHR (0.60) ALDH1A1GAARAB9AKMT2ACA12
SCHEMBL13572118 0.90 ALDH1A1 (0.67) ALDH1A1GAAHDAC6HDAC1NPC1
SCHEMBL6999658 0.90 MPO (0.58) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL1005988 0.89 ALDH1A1 (0.61) ALDH1A1GAAHDAC6HDAC1HDAC2
SCHEMBL6994749 0.88 LMNA (0.57) ALDH1A1HDAC1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL9950494 0.87 ALDH1A1 (0.59) ALDH1A1GAAHDAC6HDAC1HDAC2
SCHEMBL6991977 0.84 CES2 (0.59) NPC1RAB9AKMT2AMAPT
SCHEMBL6996312 0.84 EPHX2 (0.49) ALDH1A1HDAC6HDAC1HDAC8NPC1
SCHEMBL1694694 0.83 ALDH1A1 (0.64) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL6996017 0.82 PLK1 (0.71) ALDH1A1GAANPC1RAB9AMEN1

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-119997925-A Combinations comprising glucamide and co-emulsifiers 科莱恩国际有限公司 2025-05-13 CN disclosed
CN-119584861-A Antimicrobial combinations 科莱恩国际有限公司 2025-03-07 CN disclosed