SCHEMBL9447348

SCHEMBL9447348

COc1c(C)ccc(NC(=O)C(C)(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
CETP P11597 1/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
METAP2 P50579 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
SCHEMBL10344836 0.85 KDM4E (0.45) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL13524441 0.78 KDM4E (0.40) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL28063083 0.75 KDM4E (0.55) KDM4EMEN1KMT2AL3MBTL1CETP
SCHEMBL31643643 0.75 ALDH1A1 (0.52) KDM4EMEN1KMT2AGFERSMN1; SMN2
SCHEMBL8806924 0.75 CA12 (0.59) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10766865 0.73 KDM4E (0.47) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL10344854 0.73 LMNA (0.45) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL4013508 0.71 GAA (0.56) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1429976 0.71 RAB9A (0.56) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30805788 0.71 CA12 (0.57) KDM4EMEN1KMT2AGFERSMN1; SMN2

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-5190971-A SUBSTITUTED DIBENZ-OXA-THIOCINONES, -12-OXIDES AND -12,12-DIOXIDES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed