SCHEMBL28801348

SCHEMBL28801348

CCC(CC(=O)O)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP17A1 P05093 6/20 0.41
EGLN3 Q9H6Z9 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP26A1 O43174 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP24A1 Q07973 1/20 0.37

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
Hydrochloric Acid SCHEMBL28804726 0.98 KDM4E (0.43) KDM4EALDH1A1CYP17A1EGLN3CYP19A1
Sulfuric Acid SCHEMBL28063194 0.94 KDM4E (0.40) KDM4EALDH1A1CYP17A1EGLN3CYP19A1
SCHEMBL28063270 0.94 CYP17A1 (0.40) KDM4EALDH1A1CYP17A1EGLN3CYP19A1
SCHEMBL27839878 0.87 CYP17A1 (0.43) KDM4EALDH1A1CYP17A1EGLN3CYP19A1
SCHEMBL15190326 0.85 KDM4E (0.40) KDM4EALDH1A1CYP17A1CYP19A1CYP26A1
SCHEMBL5073222 0.82 GPR84 (0.45) KDM4ECYP17A1
SCHEMBL1075862 0.81 CYP17A1 (0.46) CYP17A1CYP19A1
Bromide SCHEMBL28149516 0.79 CYP17A1 (0.45) CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL28193439 0.79 CYP17A1 (0.45) CYP17A1CYP19A1
Iodide SCHEMBL27878125 0.79 CYP17A1 (0.45) CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103613760-B The preparation method of polyaniline/ferroferoxide oxide electromagnetic composite material 兰州理工大学 2016-06-15 CN claimed
CN-103613760-A Method for preparing polyaniline/ferroferric oxide electromagnetic composite material UNIV LANZHOU TECH 2014-03-05 CN claimed
CN-103601885-A Preparation method for polyaniline/fly ash conductive composite material UNIV LANZHOU TECH 2014-02-26 CN claimed
CN-102911357-A Preparation method of polyaniline/attapulgite conductive composite material UNIV LANZHOU TECH 2013-02-06 CN claimed