SCHEMBL28144331

SCHEMBL28144331

C=COC(=O)C(CCCCC)C(=O)OC=C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
CA1 P00915 3/20 0.38
FFAR1 O14842 1/20 0.38
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
FAAH O00519 1/20 0.37
ABCB1 P08183 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL27836687 0.98 ZDHHC7 (0.44) ZDHHC7TSHRHPGDMAPTGPR84
SCHEMBL491649 0.98 ZDHHC7 (0.44) ZDHHC7TSHRHPGDMAPTGPR84
SCHEMBL28006557 0.98 ZDHHC7 (0.44) ZDHHC7TSHRHPGDMAPTGPR84
SCHEMBL19105296 0.94 TSHR (0.46) ZDHHC7TSHRHPGDCA1PLA2G2C
SCHEMBL27610185 0.91 GPR84 (0.47) ZDHHC7TSHRHPGDMAPTGPR84
SCHEMBL11101346 0.87 TDP1 (0.43) TSHRHPGDMAPTCA1CA2
SCHEMBL19105244 0.86 TSHR (0.37) TSHRHPGDCA1PLA2G2CCA2
SCHEMBL9285476 0.83 CA1 (0.50) ZDHHC7TSHRHPGDGPR84CA1
SCHEMBL10322920 0.81 GPR84 (0.53) ZDHHC7TSHRHPGDMAPTGPR84
SCHEMBL868425 0.81 CA2 (0.42) ZDHHC7TSHRHPGDGPR84CA1

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-105121513-B Enethiol-based curable composition and cured product thereof 昭和电工株式会社 2017-05-10 CN disclosed