SCHEMBL11325544

SCHEMBL11325544

CCc1c(Br)ccc2[nH]c(C)c(CC(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
AKR1C2 P52895 1/20 0.46
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PRNP P04156 1/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39

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
SCHEMBL11341555 0.83 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11328489 0.80 KDM4E (0.47) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL598456 0.79 KDM4E (0.59) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL3566658 0.75 AKR1C2 (0.53) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11331442 0.73 KDM4E (0.56) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2462946 0.72 KDM4E (0.51) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2009406 0.72 KDM4E (0.60) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL13002847 0.72 THRB (0.38) KDM4EMAPTGAAALDH1A1CYP1A2
SCHEMBL4560886 0.71 CYP1A2 (0.56) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL3342092 0.71 CYP1A2 (0.49) KDM4EMAPTGAAALDH1A1MEN1

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-4302589-A ANTIPSYCHOTIC AMERICAN CYANAMID COMPANY (US) 1981-11-24 US disclosed