SCHEMBL11046161

SCHEMBL11046161

COc1ccccc1C=C(C)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NFE2L2 Q16236 4/20 0.47
PKM P14618 1/20 0.46
TFEB P19484 1/20 0.46
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
GRIN2D O15399 2/20 0.42

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
SCHEMBL14604986 0.84 KMT2A (0.55) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL2046280 0.79 KDM4E (0.56) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL11707539 0.78 KMT2A (0.50) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL11707546 0.78 KMT2A (0.50) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL16933853 0.77 NFE2L2 (0.52) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL13891035 0.76 GRIN2D (0.54) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL6478107 0.76 KDM4E (0.53) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL11051235 0.76 ALDH1A1 (0.43) KMT2ALMNAMAPTMEN1POLB
SCHEMBL11051238 0.76 ALDH1A1 (0.43) KMT2ALMNAMAPTMEN1POLB
SCHEMBL2052380 0.73 NFE2L2 (0.53) KMT2ALMNAMAPTMEN1PLIN1

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-0108627-A2 Cephalosporin derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-16 EP disclosed