SCHEMBL25902001

SCHEMBL25902001

CC(C)CCOc1ccc(C2(S(C)(=O)=O)CC(O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP1 P03956 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
SCHEMBL26022086 0.88 TDP1 (0.44) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL25318341 0.85 ALOX5AP (0.45) SMN1; SMN2GAAKMT2ATSHRMEN1
SCHEMBL26024304 0.85 TSHR (0.47) GAAKMT2ATSHRMEN1MAPT
SCHEMBL25902474 0.85 TDP1 (0.49) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL25316389 0.83 CYP2D6 (0.35) KMT2ATSHRMEN1MAPTALDH1A1
SCHEMBL25902138 0.83 TDP1 (0.46) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL26022091 0.82 TDP1 (0.45) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL25902002 0.82 EPHX2 (0.46) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL25902004 0.80 TSHR (0.47) MAPK1EPHX2TDP1MMP3S1PR1
SCHEMBL26022094 0.79 TDP1 (0.42) MAPK1EPHX2TDP1MMP3S1PR1

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed