SCHEMBL10477338

SCHEMBL10477338

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)NC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HPGD P15428 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
EPHX1 P07099 2/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2148573 0.94 TSHR (0.55) TSHRFAAHMEN1MAPK1KMT2A
SCHEMBL30094953 0.93 TSHR (0.54) TSHRFAAHMEN1MAPK1KMT2A
Methacrylic Acid SCHEMBL27973906 0.86 TSHR (0.51) TSHRFAAHMEN1MAPK1KMT2A
SCHEMBL28813009 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Isobutane SCHEMBL28087898 0.82 TSHR (0.89) TSHRFAAHEPHX1THRBPOLB
SCHEMBL22686669 0.82 THRB (0.64) TSHRMEN1KMT2ATHRBALDH1A1
SCHEMBL28455265 0.82 TSHR (0.67) TSHRZDHHC20ZDHHC2HPGDEPHX1
Acrylic Acid SCHEMBL25389677 0.81 TSHR (0.80) TSHRFAAHHPGDEPHX1THRB
Acrylic Acid SCHEMBL5478176 0.81 TSHR (0.80) TSHRFAAHHPGDEPHX1THRB
Acrylic Acid SCHEMBL321737 0.81 TSHR (0.80) TSHRFAAHHPGDEPHX1THRB

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-4873166-A Liquid developer for electrophotography MITSUBISHI PAPER MILLS, LTD. (JP) 1989-10-10 US disclosed