SCHEMBL28570960

SCHEMBL28570960

COC(=O)C=CCCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.47
HPGD P15428 1/20 0.42
FPR2 P25090 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL7340918 0.84 MAPT (0.49) GPR52KMT2A
SCHEMBL17592695 0.84 GPR52 (0.57) GPR52FPR2TAAR1
SCHEMBL17592697 0.84 GPR52 (0.57) GPR52FPR2TAAR1
SCHEMBL13971097 0.84 GPR52 (0.61) GPR52SMN1; SMN2TAAR1KMT2A
SCHEMBL8856037 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ANOS3NOS1NOS2
SCHEMBL7374431 0.83 GPR52 (0.60) GPR52
SCHEMBL5972763 0.83 GPR52 (0.60) GPR52
SCHEMBL5414681 0.80 GPR52 (0.51) GPR52
SCHEMBL30898795 0.79 PSIP1 (0.42) GPR52KMT2A
SCHEMBL10037558 0.74 GPR52 (0.50) GPR52SMN1; SMN2TAAR1KMT2A

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-108864375-B Preparation method of water-retention and mud-resistance type polycarboxylate superplasticizer 科之杰新材料集团有限公司 2021-05-25 CN disclosed
CN-108864374-B Preparation method of ether high-water-retention polycarboxylate superplasticizer 科之杰新材料集团有限公司 2021-05-25 CN disclosed