SCHEMBL28637271

SCHEMBL28637271

CCCCCCCCCCCCCCCC(Cl)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 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
SCHEMBL28623845 1.00 ZDHHC7 (0.43) ZDHHC7GPR84FAAHNAAADGKA
SCHEMBL28630516 0.98 ZDHHC7 (0.41) ZDHHC7GPR84FAAHNAAADGKA
SCHEMBL27912254 0.93 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL29038291 0.88 GAA (0.38) ZDHHC7FAAHMGAMGAASI
SCHEMBL28478458 0.88 GAA (0.38) ZDHHC7FAAHMGAMGAASI
SCHEMBL8154795 0.85 MGAM (0.44) MGAMGAASIMGAM2
SCHEMBL22719982 0.84 GPR84 (0.43) ZDHHC7GPR84FAAHFFAR1MAPT
Heptane SCHEMBL1591794 0.83 NAAA (0.44) NAAADGKAMAPTMGAMGAA
SCHEMBL3476036 0.81 TLR4 (0.52) ZDHHC7GPR84NAAADGKAFFAR1
SCHEMBL9385105 0.81 TLR4 (0.52) ZDHHC7GPR84NAAADGKAFFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113233980-B Synthesis method of beta-chloroacid ester and alpha, beta-unsaturated acid ester compound 台州学院 2022-04-05 CN disclosed
CN-113233980-A Synthesis method of beta-chloroacid ester and alpha, beta-unsaturated acid ester compound 台州学院 2021-08-10 CN disclosed