SCHEMBL6473252

SCHEMBL6473252

COc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
AOC3 Q16853 2/20 0.46
OPRK1 P41145 1/20 0.45
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45
BACE1 P56817 1/20 0.43

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
SCHEMBL11201464 0.85 KMT2A (0.54) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL28519052 0.85 MEN1 (0.51) MEN1KMT2ALMNATDP1L3MBTL1
SCHEMBL10552240 0.85 CASR (0.51) CASRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL5782693 0.84 MEN1 (0.58) MEN1KMT2ARAB9ATDP1L3MBTL1
SCHEMBL2093768 0.83 AOC3 (0.59) CASRNPC1RAB9AL3MBTL1AOC3
SCHEMBL477338 0.82 AOC3 (0.54) CASRL3MBTL1AOC3BRD4
SCHEMBL27686957 0.82 AOC3 (0.54) CASRL3MBTL1AOC3BRD4
SCHEMBL3470936 0.81 AOC3 (0.50) CASRSMN1; SMN2POLBNPC1RAB9A
SCHEMBL21035067 0.80 ACP3 (0.41) CASRMEN1KMT2AHTTRAB9A
SCHEMBL23882846 0.80 ROCK1 (0.50) L3MBTL1AOC3BRD4

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
WO-2005105730-A2 METHOD OF PREPARING AN ALCOHOL FROM A HALOGENOAROMATIC COMPOUND AND AN ALDEHYDE SHASUN PHARMA SOLUTIONS LIMITED (GB) 2005-11-10 WO disclosed