SCHEMBL28063270

SCHEMBL28063270

CCC(CC(=O)O)n1ccnc1.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 7/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP26A1 O43174 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL28801348 0.94 KDM4E (0.43) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
Hydrochloric Acid SCHEMBL28804726 0.92 KDM4E (0.43) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
Sulfuric Acid SCHEMBL28063194 0.88 KDM4E (0.40) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
SCHEMBL27625240 0.85 EGLN3 (0.41) CYP17A1KDM4ECYP19A1ALDH1A1EGLN3
SCHEMBL28236448 0.84 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL27839878 0.81 CYP17A1 (0.43) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
SCHEMBL15190326 0.80 KDM4E (0.40) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
SCHEMBL29256166 0.78 ALDH1A1 (0.40) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
SCHEMBL27670698 0.78 CYP17A1 (0.46) CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL5073222 0.77 GPR84 (0.45) CYP17A1KDM4E

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-103613760-B The preparation method of polyaniline/ferroferoxide oxide electromagnetic composite material 兰州理工大学 2016-06-15 CN claimed