SCHEMBL23214500

SCHEMBL23214500

CC(=O)OC(C)(C(=O)Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ESR1 P03372 3/20 0.38

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
SCHEMBL5322361 0.85 CYP2C19 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL14003859 0.85 CYP2C19 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL8894764 0.85 CYP2C19 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL10989943 0.81 MAPT (0.55) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL19275896 0.81 CES1 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL9124406 0.81 CES1 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL15120026 0.81 CES1 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL4811115 0.80 KCNN4 (0.56) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL11379208 0.78 CYP2C19 (0.52) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL7154819 0.78 KCNN4 (0.40) KCNN4CYP2C19HIF1AMAPTKMT2A

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-114502603-B Degradable polymeric material 南洋理工大学 2024-12-03 CN disclosed
WO-2021071432-A1 DEGRADABLE POLYMERIC MATERIALS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-04-15 WO disclosed
WO-2021071432-A1 DEGRADABLE POLYMERIC MATERIALS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-04-15 WO disclosed
CN-106631865-A Preparation method of avenanthramide and derivative thereof 南京华狮新材料有限公司 2017-05-10 CN disclosed