SCHEMBL30559591

SCHEMBL30559591

NC(CO)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 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
SCHEMBL30800833 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL1464027 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL432890 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30818125 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL8513883 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL10276702 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL1439297 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445783 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445784 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25196113 0.82 HDAC4 (0.40) HDAC4HDAC7HDAC5IDO1TDO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005929-A Polyether modified polysiloxane and preparation method thereof, high-performance defoamer and preparation method thereof 科之杰新材料集团有限公司 2024-05-10 — — CN disclosed
CN-117777462-A Polyether modified polysiloxane and preparation method thereof, polyether modified organic silicon defoamer and preparation method thereof 科之杰新材料集团有限公司 2024-03-29 — — CN disclosed
CN-117777463-A Polyether modified polysiloxane and preparation method thereof, defoamer and preparation method thereof 科之杰新材料集团有限公司 2024-03-29 — — CN disclosed
CN-116829726-A Biological production of enantiomerically pure (R) -and (S) -2-phenylglycinol from styrene and renewable raw materials by artificial enzyme cascade 新加坡国立大学 2023-09-29 — — CN disclosed
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