SCHEMBL28528223

SCHEMBL28528223

CCc1c(C(C)C)ccc(C=CC(=O)OC)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL27448132 0.88 CA12 (0.43) KDM4ECA12CA1CA2TYR
SCHEMBL490186 0.85 KDM4E (0.49) ALDH1A1KDM4EKMT2AMEN1CA12
SCHEMBL579354 0.77 KDM4E (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5271345 0.73 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1CA12
SCHEMBL13299432 0.72 KDM4E (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL29520699 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL156609 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL647921 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL645927 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL157462 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1

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-112399845-A Cosmetic preparation 株式会社资生堂 2021-02-23 CN disclosed