SCHEMBL24510652

SCHEMBL24510652

C=CC(=C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
FFAR1 O14842 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 2/20 0.47
PTPN11 Q06124 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TGM2 P21980 4/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.44
F13A1 P00488 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL890715 0.84 TGM2 (0.68) ALDH1A1MEN1KMT2AMITFFFAR1
Hydroxyl Radical SCHEMBL28150321 0.82 TGM2 (0.66) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL877744 0.78 HCAR3 (0.58) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL22183966 0.78 KDM4E (0.40) ALDH1A1MEN1KMT2ATGM2PKM
SCHEMBL23336405 0.78 TGM2 (0.46) ALDH1A1MEN1KMT2ATP53TGM2
SCHEMBL15213831 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL1457833 0.77 HCAR3 (0.57) ALDH1A1MEN1KMT2AMITFFFAR1
Hydrochloric Acid SCHEMBL9551144 0.77 HCAR3 (0.57) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL8476851 0.77 KMT2A (0.60) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL4745756 0.76 EPHX2 (0.71) ALDH1A1MEN1KMT2AMITFFFAR1

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
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 WO disclosed