SCHEMBL31146971

SCHEMBL31146971

CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(F)cc2)=C(O)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WRN Q14191 14/20 0.63
ALDH1A1 P00352 5/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31146953 0.88 ALDH1A1 (0.60) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146966 0.85 WRN (0.63) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146957 0.85 WRN (0.60) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL16850573 0.84 WRN (0.61) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146969 0.84 WRN (0.62) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146960 0.82 WRN (0.67) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146954 0.82 WRN (0.65) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL15537250 0.81 ALDH1A1 (0.71) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146955 0.81 ALDH1A1 (0.57) WRNALDH1A1LMNAKMT2AMAPT
SCHEMBL31146958 0.76 ALDH1A1 (0.58) WRNALDH1A1LMNAKMT2AMAPT

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
CN-118908817-A Synthesis method of 2,2' - (benzylidene) bis (3-hydroxy-5, 5-dimethylcyclohex-2-en-1-one) compound 宁夏师范学院 2024-11-08 CN disclosed