SCHEMBL11328489

SCHEMBL11328489

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
AKR1C2 P52895 1/20 0.43
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 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
SCHEMBL11341555 0.82 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11325544 0.80 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2462636 0.77 KDM4E (0.48) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL12255347 0.74 AKR1C2 (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2462946 0.72 KDM4E (0.51) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL4916175 0.71 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11331442 0.70 KDM4E (0.56) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL6291091 0.70 KDM4E (0.68) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2003508 0.69 AKR1C2 (0.53) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2466040 0.69 KDM4E (0.55) 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