SCHEMBL30444012

SCHEMBL30444012

OC/C=C/c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GSR P00390 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
CHAT P28329 1/20 0.43
CYP2A6 P11509 1/20 0.43
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42

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
SCHEMBL3533801 1.00 HDAC1 (0.47) HDAC1HDAC8HDAC6GSRALDH1A1
SCHEMBL3533797 1.00 HDAC1 (0.47) HDAC1HDAC8HDAC6GSRALDH1A1
SCHEMBL9274151 0.84 PTPN1 (0.45) ALDH1A1MEN1KMT2ALMNATRPA1
SCHEMBL9274152 0.84 PTPN1 (0.45) ALDH1A1MEN1KMT2ALMNATRPA1
SCHEMBL2355534 0.83 PPP1R15A (0.43) HDAC1ALDH1A1GRIK1GRIK2MAPT
SCHEMBL15539237 0.83 CHAT (0.44) HDAC1HDAC8HDAC6GSRALDH1A1
SCHEMBL2355528 0.83 PPP1R15A (0.43) HDAC1ALDH1A1GRIK1GRIK2MAPT
SCHEMBL5319574 0.83 CHAT (0.44) HDAC1HDAC8HDAC6GSRALDH1A1
SCHEMBL14691573 0.80 GAA (0.33) HDAC1HDAC8HDAC6GSRALDH1A1
SCHEMBL31500768 0.80 ALDH1A1 (0.48) HDAC1HDAC8HDAC6GSRALDH1A1

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-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed