SCHEMBL20844006

SCHEMBL20844006

COc1cc(C)n(C)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CYP19A1 P11511 6/20 0.33
NQO2 P16083 6/20 0.33
ACHE P22303 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
S100B P04271 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL22016469 0.73 PDE3B (0.45) GAACYP19A1NQO2ALDH1A1PDE3B
SCHEMBL19366819 0.73 KDM4E (0.30) KDM4E
SCHEMBL18999990 0.71 CRHR1 (0.33) LMNA
SCHEMBL21718534 0.67 LMNA (0.34) POLBCYP19A1NQO2ACHEALDH1A1
SCHEMBL22037773 0.67 PDE3B (0.43) POLBGAACYP19A1NQO2ALDH1A1
SCHEMBL21955358 0.64 PDE3B (0.42) POLBCYP19A1NQO2ALDH1A1PDE3B
SCHEMBL27841833 0.64 ALDH1A1 (0.47) POLBGAAGFERACHEALDH1A1
SCHEMBL26141120 0.64 LMNA (0.42) ALDH1A1HDAC4HDAC8LMNAMAPT
SCHEMBL24312086 0.62 CYP19A1 (0.37) POLBGAACYP19A1NQO2ALDH1A1
SCHEMBL22016881 0.62 PDE3B (0.45) CYP19A1NQO2ALDH1A1PDE3BPDE3A

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-2019059161-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2019-03-28 WO disclosed