SCHEMBL11208616

SCHEMBL11208616

CCc1cccc2c1C(=O)c1ccccc1C2=O.CCc1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
RAB9A P51151 4/20 0.41
CYP1A2 P05177 3/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
S1PR4 O95977 2/20 0.37
TDP1 Q9NUW8 4/20 0.36
DUSP3 P51452 1/20 0.36
BLM P54132 1/20 0.36
PTPN5 P54829 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
SCHEMBL166480 0.86 MAPT (0.51) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL28246743 0.81 ELANE (0.49) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL83136 0.78 ADORA2A (0.53) MAPTRAB9ANPC1CYP3A4HPGD
SCHEMBL31192989 0.76 MAPT (0.48) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL2401853 0.76 MAPT (0.48) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL508145 0.75 GPR3 (0.54) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL1554114 0.75 MAPT (0.47) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL14562395 0.74 MAOA (0.51) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL2419726 0.74 MAPT (0.46) MAPTRAB9ACYP1A2NPC1CYP3A4
SCHEMBL30415783 0.74 HSP90AA1 (0.39) ALDH1A1KMT2AMEN1S1PR4L3MBTL1

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-0081323-A1 Curable ink or paint containing electrically conductive metal particles JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1983-06-15 EP disclosed