SCHEMBL3841104

SCHEMBL3841104

CC1=Cc2ccccc2C1CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.41
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 2/20 0.40
CES1 P23141 2/20 0.40
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1453437 0.74 HTR2A (0.42) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1452870 0.74 HTR2A (0.42) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3206071 0.74 CA1 (0.40) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3198367 0.73 MAPT (0.32) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL6238627 0.72 HTR2A (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4005225 0.72 HTR2A (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3212484 0.72 MAPT (0.35) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL3199693 0.71 MAPT (0.36) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6929909 0.71 EGFR (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7105374 0.71 HTR2A (0.47) ALDH1A1MEN1KMT2ALMNASMN1; 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
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed