SCHEMBL23664862

SCHEMBL23664862

CC(C)c1c(C2CC2)cccc1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
HTR6 P50406 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL24581135 0.86 LMNA (0.32) LMNA
SCHEMBL23162797 0.78 HSD11B1 (0.48) HSD11B1PTGS2LMNAHTR6
SCHEMBL23665021 0.76 PTGS2 (0.39) HSD11B1PTGS2LMNAHTR6PDK2
SCHEMBL18790124 0.73 HTR2C (0.46) HTR6PDK2PDK4
SCHEMBL25464003 0.72 SLC6A4 (0.37) LMNAHTR6PDK2PDK4
SCHEMBL19628517 0.72 SLC6A4 (0.36) HTR6PDK2PDK4
SCHEMBL10180103 0.72 PTGS2 (0.55) HSD11B1PTGS2LMNAHTR6ALOX5AP
SCHEMBL24603708 0.72 CNR2 (0.37) HSD11B1ALOX5APFEN1
SCHEMBL15035936 0.72 HSD11B1 (0.41) HSD11B1
SCHEMBL23664866 0.71 PTGS2 (0.44) PTGS2LMNAHTR6ALOX5APFEN1

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-2021143693-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 苏州泽璟生物制药股份有限公司 2021-07-22 WO disclosed