SCHEMBL29332017

SCHEMBL29332017

CC(=O)OCc1ccc(C)cc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ABCB1 P08183 1/20 0.39
CSNK2A1 P68400 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4316026 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL4677431 0.80 HSD17B1 (0.44) KDM4EHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL336642 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL1466758 0.79 KDM4E (0.54) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL13034161 0.78 SMN1; SMN2 (0.51) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL28954360 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL15267352 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL16725016 0.77 SRC (0.42) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL13034141 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10CYP3A4LMNA
SCHEMBL2427030 0.75 SRC (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2ACSNK2A1

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-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 WO disclosed