SCHEMBL11519963

SCHEMBL11519963

C=C(CCCCCC)C(=O)ONCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
EPHX1 P07099 5/20 0.42
CASP2 P42575 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HSP90AA1 P07900 1/20 0.40
TSHR P16473 5/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
NAAA Q02083 1/20 0.40
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TLR2 O60603 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
SCHEMBL10950900 0.93 CNR2 (0.44) CNR2CES2CES1HSP90AA1TSHR
SCHEMBL28014306 0.83 EPHX1 (0.52) CNR2EPHX1CASP2ZDHHC20ZDHHC2
SCHEMBL28013640 0.83 EPHX1 (0.52) CNR2EPHX1CASP2ZDHHC20ZDHHC2
SCHEMBL27489106 0.82 TSHR (0.55) CNR2EPHX1CASP2HSP90AA1TSHR
SCHEMBL16176196 0.82 TSHR (0.55) CNR2EPHX1CASP2HSP90AA1TSHR
SCHEMBL18725606 0.82 TSHR (0.55) CNR2EPHX1CASP2HSP90AA1TSHR
SCHEMBL20427935 0.82 TSHR (0.55) CNR2EPHX1CASP2HSP90AA1TSHR
SCHEMBL27643100 0.82 TSHR (0.55) CNR2EPHX1CASP2HSP90AA1TSHR
SCHEMBL2749483 0.81 EPHX1 (0.48) CNR2EPHX1CASP2TSHRZDHHC20
Hydrochloric Acid SCHEMBL346303 0.81 TSHR (0.53) CNR2EPHX1CASP2HSP90AA1TSHR

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-4177179-A ACRYLIC COPOLYMER AND EPOXY COMPOUND TOYO SODA MANUFACTURING CO., LTD. (JP) 1979-12-04 US disclosed