SCHEMBL27286142

SCHEMBL27286142

CC(=O)c1cnn(Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.68
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
KLKB1 P03952 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
APOBEC3A P31941 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL1912400 0.91 HSD17B10 (0.77) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL13692389 0.88 L3MBTL1 (0.54) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL19300037 0.88 HSD17B10 (0.51) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL27364232 0.86 KLKB1 (0.53) HSD17B10POLBALDH1A1KDM4EKLKB1
SCHEMBL17229366 0.86 KLKB1 (0.51) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL752774 0.85 LMNA (0.61) HSD17B10ALDH1A1KDM4EKLKB1MEN1
SCHEMBL19087149 0.83 HSD17B10 (0.70) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL948453 0.83 HSD17B10 (0.61) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL27259482 0.83 KLKB1 (0.51) HSD17B10L3MBTL1POLBTDP1ALDH1A1
SCHEMBL27364039 0.83 L3MBTL1 (0.70) HSD17B10L3MBTL1POLBTDP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed