SCHEMBL11737182

SCHEMBL11737182

CCCC(NC(=O)C(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.43
▸ NOD1 Q9Y239 3/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ AKR1A1 P14550 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MME P08473 1/20 0.39
▸ FOLH1 Q04609 4/20 0.38
▸ NAALAD2 Q9Y3Q0 2/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ GRN P28799 2/20 0.36
▸ SORT1 Q99523 2/20 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
SCHEMBL11737186 1.00 FPR2 (0.43) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL11741155 0.89 NOD1 (0.49) NOD1HDAC2MMEFOLH1CTSS
SCHEMBL11741149 0.89 NOD1 (0.49) NOD1HDAC2MMEFOLH1CTSS
SCHEMBL8738364 0.82 FPR2 (0.44) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL10146967 0.77 FPR2 (0.49) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL11740799 0.77 ALDH1A1 (0.60) FOLH1NAALAD2GRNSORT1MAPT
SCHEMBL11740805 0.77 ALDH1A1 (0.60) FOLH1NAALAD2GRNSORT1MAPT
SCHEMBL30915500 0.77 FOLH1 (0.57) FOLH1
SCHEMBL11741131 0.76 CA2 (0.47) MMEFOLH1NAALAD2RIMKLAMAPT
SCHEMBL11741138 0.76 CA2 (0.47) MMEFOLH1NAALAD2RIMKLAMAPT

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-4055663-A Halogenated acylamino acids as fungicides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-10-25 — — US disclosed
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