SCHEMBL7745145

SCHEMBL7745145

COc1c(C2(N3C(N)CCCC3(C)C)CC2)ccc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CSNK2A2 P19784 3/20 0.37
▸ CSNK2B P67870 3/20 0.37
▸ CSNK2A1 P68400 3/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ TET2 Q6N021 1/20 0.33
▸ TET1 Q8NFU7 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ DNA2 P51530 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30

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
SCHEMBL7745148 0.82 KDM4E (0.41) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
SCHEMBL4460731 0.67 KCNH2 (0.58) ALDH1A1HPGDKDM4EHSD17B10KCNH2
SCHEMBL9569209 0.66 HPGD (0.46) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
SCHEMBL9569237 0.65 HPGD (0.50) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
SCHEMBL1556635 0.63 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
Cyclopropane SCHEMBL5724884 0.63 KCNH2 (0.44) ALDH1A1HPGDKDM4EHSD17B10KCNH2
SCHEMBL9569233 0.63 HPGD (0.43) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
SCHEMBL7509999 0.63 KDM4E (0.33) ALDH1A1HPGDKDM4E
SCHEMBL9569226 0.62 KDM4E (0.43) ALDH1A1HPGDKDM4ECSNK2A2CSNK2B
SCHEMBL7510240 0.62 KDM4E (0.33) ALDH1A1HPGDKDM4E

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
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 — — US claimed
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