SCHEMBL27908596

SCHEMBL27908596

CC(=O)c1ccc(CC=CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ATG4B Q9Y4P1 12/20 0.41
PLA2G1B P04054 10/20 0.41
MAOB P27338 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27926571 1.00 KMT2A (0.53) KMT2ALMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL11366685 0.86 MAOB (0.46) LMNAATG4BPLA2G1BMAOBTDP1
SCHEMBL8917564 0.85 ALDH1A1 (0.50) KMT2ASMN1; SMN2MAPTTHRBTDP1
SCHEMBL8917566 0.85 ALDH1A1 (0.50) KMT2ASMN1; SMN2MAPTTHRBTDP1
SCHEMBL27678556 0.81 ATG4B (0.38) KMT2ALMNAMAPTATG4BPLA2G1B
SCHEMBL9696619 0.81 ALDH1A1 (0.50) ATG4BPLA2G1BMAOBTHRATHRB
SCHEMBL4101066 0.81 KMT2A (0.57) KMT2ALMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL15518905 0.81 LMNA (0.54) KMT2ALMNASMN1; SMN2MAPTTHRB
SCHEMBL11219683 0.80 LPAR2 (0.42) LMNAMAPTMAOBTDP1ALDH1A1
SCHEMBL11219685 0.80 LPAR2 (0.42) LMNAMAPTMAOBTDP1ALDH1A1

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-103189353-A Hydroxamate-based inhibitors of deacetylases NOVARTIS AG 2013-07-03 CN disclosed