SCHEMBL11401352

SCHEMBL11401352

C=C(Cc1ccccc1)C(=O)I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.54
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CTBP2 P56545 1/20 0.44
EPHX2 P34913 1/20 0.44
PAM P19021 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
ABCC4 O15439 1/20 0.42
GAA P10253 1/20 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
SCHEMBL41907 0.82 CES1 (0.58) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28200225 0.82 CES1 (0.58) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL12095508 0.81 CES1 (0.55) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28267372 0.80 CES1 (0.70) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL27564061 0.80 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A
Bromide SCHEMBL11497452 0.80 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A
Hydrochloric Acid SCHEMBL27862997 0.80 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL2589135 0.78 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL5610463 0.78 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9513578 0.78 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A

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
US-4284707-A Photocurable light-sensitive composition SOMAR MANUFACTURING CO., LTD. (JP) 1981-08-18 US claimed