SCHEMBL13987170

SCHEMBL13987170

CCOC(=O)C1(CCCCCl)Cc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
KCNK3 O14649 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 1/20 0.35
ACHE P22303 2/20 0.34

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
SCHEMBL13987169 0.98 KDM4E (0.43) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL13988029 0.91 KDM4E (0.45) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL9358766 0.88 KDM4E (0.43) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL4853328 0.83 HSD17B10 (0.39) KDM4ELMNAALDH1A1KMT2ACYP3A4
SCHEMBL5359312 0.79 KDM4E (0.41) KDM4ELMNAALDH1A1KMT2AGAA
SCHEMBL5364385 0.78 KDM4E (0.40) KDM4ELMNAALDH1A1KMT2AGAA
SCHEMBL9864996 0.78 BCHE (0.52) ACHE
SCHEMBL4748040 0.77 KDM4E (0.41) KDM4ELMNAALDH1A1KMT2AGAA
SCHEMBL5917684 0.76 KDM4E (0.43) KDM4ELMNAALDH1A1KMT2AKCNK3
SCHEMBL6048316 0.76 KDM4E (0.42) KDM4ELMNAALDH1A1KMT2AKCNK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed