SCHEMBL28958595

SCHEMBL28958595

CCOC1(NC(=O)c2cn(C)nc2C(F)(F)F)C=CC=CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.38
DGAT1 O75907 10/20 0.37
STING1 Q86WV6 1/20 0.34
BACE1 P56817 3/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL28350304 1.00 LMNA (0.42) LMNAPOLBGAADGAT1STING1
SCHEMBL28345167 0.91 LMNA (0.40) LMNAPOLBGAADGAT1STING1
SCHEMBL28354369 0.85 ACACB (0.33)
SCHEMBL28354213 0.83 LMNA (0.45) LMNAPOLBGAADGAT1STING1
SCHEMBL28350366 0.83 LMNA (0.45) LMNAPOLBGAADGAT1STING1
SCHEMBL28345080 0.79 LMNA (0.41) LMNAPOLBGAADGAT1STING1
SCHEMBL28348087 0.78 LMNA (0.43) LMNAPOLBGAADGAT1STING1
SCHEMBL28348577 0.78 LMNA (0.41) LMNAPOLBGAADGAT1STING1
SCHEMBL28348615 0.78 GAA (0.37) GAADGAT1
SCHEMBL28345531 0.78 LMNA (0.38) 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