SCHEMBL7823348

SCHEMBL7823348

CCOC(=O)C(Cl)C(=O)c1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.59
RAB9A P51151 5/20 0.54
PKM P14618 2/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
NAPRT Q6XQN6 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL11371745 0.82 CA12 (0.46) RAB9ACYP1A2CYP3A4SMN1; SMN2LMNA
SCHEMBL71884 0.80 DGAT1 (0.68) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL1965917 0.80 SMN1; SMN2 (0.51) POLBL3MBTL1MAPTGAACYP1A2
SCHEMBL29723823 0.80 DGAT1 (0.68) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL1970298 0.78 KMT2A (0.44) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL9302975 0.77 POLB (0.60) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL9302968 0.77 POLB (0.60) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL609459 0.76 TDP1 (0.41) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL30530049 0.76 NAPRT (0.62) DGAT1RAB9APKMPOLBL3MBTL1
SCHEMBL14519853 0.76 NAPRT (0.62) DGAT1RAB9APKMPOLBL3MBTL1

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
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed