SCHEMBL30129484

SCHEMBL30129484

CCOC(=O)[C@H](C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
P2RY12 Q9H244 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
LMNA P02545 3/20 0.36
MITF O75030 2/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 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
SCHEMBL30211033 0.90 TAS1R3 (0.40) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL30139669 0.90 TAS1R3 (0.40) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL30473365 0.90 MEN1 (0.41) CTSASMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL20892686 0.90 MEN1 (0.41) CTSASMN1; SMN2TAS1R3TAS1R1KDM4E
SCHEMBL20892693 0.87 TAS1R3 (0.40) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL23706479 0.87 TAS1R3 (0.37) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL23706478 0.87 TAS1R3 (0.37) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL30129515 0.87 TAS1R3 (0.37) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL25042352 0.87 TAS1R3 (0.37) CTSASMN1; SMN2TAS1R3TAS1R1ATM
SCHEMBL19852749 0.85 RAB9A (0.36) CTSASMN1; SMN2TAS1R3TAS1R1ATM

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-115484825-A Phenyl compound and method for controlling plant disease 住友化学株式会社 2022-12-16 CN disclosed