SCHEMBL31455652

SCHEMBL31455652

COC(=O)C(C)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 2/20 0.60
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 3/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 5/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL20795863 0.89 CYP3A4 (0.56) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL22643562 0.85 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL15614364 0.85 KMT2A (0.69) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL25811699 0.85 PTGS1 (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL9329147 0.84 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL22388846 0.83 KMT2A (0.76) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL27542643 0.82 TDP1 (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6792870 0.81 ALDH1A1 (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6792877 0.81 ALDH1A1 (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL23795853 0.81 KMT2A (0.63) KMT2ASLC6A2SLC6A3TDP1LMNA

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed