SCHEMBL28354451

SCHEMBL28354451

Cn1cc(C(=O)NC2(Cl)C(Cl)=CC=CC2C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.37
DGAT1 O75907 5/20 0.36
STING1 Q86WV6 1/20 0.35
BACE1 P56817 5/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
KLKB1 P03952 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL28354437 1.00 LMNA (0.48) LMNAPOLBGAADGAT1STING1
SCHEMBL28348147 0.87 LMNA (0.44) LMNAPOLBGAADGAT1BACE1
SCHEMBL28350831 0.83 ACACB (0.34) LMNAPOLBKLKB1
SCHEMBL28354293 0.83 ACACB (0.34) LMNAPOLBKLKB1
SCHEMBL28354213 0.79 LMNA (0.45) LMNAPOLBGAADGAT1STING1
SCHEMBL28350366 0.79 LMNA (0.45) LMNAPOLBGAADGAT1STING1
SCHEMBL28350657 0.78 LMNA (0.47) LMNAPOLBGAADGAT1STING1
SCHEMBL28350722 0.78 LMNA (0.47) LMNAPOLBGAADGAT1STING1
SCHEMBL28350304 0.76 LMNA (0.42) LMNAPOLBGAADGAT1STING1
SCHEMBL28958595 0.76 LMNA (0.42) LMNAPOLBGAADGAT1STING1

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-110734403-B (S) -2- (1H-pyrazole-4-formamido) propyl benzoate compound and preparation method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-110734403-A (S) -2- (1H-pyrazole-4-formamido) propyl benzoate compound and preparation method and application thereof 浙江工业大学 2020-01-31 CN disclosed