SCHEMBL9738425

SCHEMBL9738425

CC(C)C(C(=O)O)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CYP26A1 O43174 5/20 0.42
CYP17A1 P05093 3/20 0.41
TBXAS1 P24557 2/20 0.41
CYP19A1 P11511 2/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP24A1 Q07973 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL12002759 0.87 KDM4E (0.42) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
SCHEMBL13225801 0.82 KDM4E (0.43) KDM4ECYP26A1CYP17A1TBXAS1KMT2A
SCHEMBL2585276 0.80 KDM4E (0.45) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
SCHEMBL20518637 0.80 KDM4E (0.45) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL27966647 0.78 KDM4E (0.44) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
Bromide SCHEMBL28354965 0.78 KDM4E (0.44) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
Bicarbonate SCHEMBL28505567 0.78 KDM4E (0.46) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
SCHEMBL27968394 0.77 CYP26A1 (0.45) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
SCHEMBL29035500 0.75 CYP19A1 (0.44) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1
SCHEMBL8844174 0.75 FDPS (0.40) KDM4ECYP26A1CYP17A1TBXAS1CYP19A1

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-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US claimed