SCHEMBL27856448

SCHEMBL27856448

C=CO.CCCCCOCCCCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 3/20 0.50
CES2 O00748 2/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.44
USP2 O75604 1/20 0.43
CES1 P23141 1/20 0.42
HPGD P15428 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL23499833 0.97 HTT (0.60) HTTMEN1THRBKMT2AMAPT
SCHEMBL23499819 0.97 HTT (0.60) HTTMEN1THRBKMT2AMAPT
SCHEMBL27471852 0.97 HTT (0.60) HTTMEN1THRBKMT2AMAPT
SCHEMBL27551467 0.92 TSHR (0.59) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL28147469 0.86 HTT (0.52) HTTMEN1THRBKMT2AMAPT
Butadiene SCHEMBL6000177 0.86 HTT (0.52) HTTMEN1THRBKMT2AMAPT
Butadiene SCHEMBL9755653 0.84 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL3789743 0.84 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Formic Acid SCHEMBL3879850 0.84 HTT (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL9868937 0.84 THRB (0.56) HTTMEN1THRBKMT2AMAPT

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
CN-1991584-B Light solidification pigmentation composition and color filter, and liquid crystal display device FUJI PHOTO FILM CO LTD 2012-01-04 CN disclosed