SCHEMBL29328751

SCHEMBL29328751

CCOC(=O)C1CCC2(CCCCCCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
TLR4 O00206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL29329219 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL16540969 0.94 TLR4 (0.45) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL15416050 0.90 TLR4 (0.45) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL15831723 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL25248672 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL8641553 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL29328698 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL21733525 0.77 TLR4 (0.45) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL3813382 0.77 KDM4E (0.37) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL3399318 0.77 CYP1A2 (0.36) ALDH1A1HSD17B10KMT2AMAPTKDM4E

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-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed