SCHEMBL11212504

SCHEMBL11212504

C=Cc1cccc(C=CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
HCAR2 Q8TDS4 2/20 0.61
TNKS O95271 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 3/20 0.52
CYP2C9 P11712 3/20 0.52

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
SCHEMBL11212503 1.00 NPSR1 (0.62) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL271386 0.90 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL69146 0.90 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27771748 0.84 HDAC3 (0.79) NPSR1HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL10919255 0.84 HCAR2 (0.79) NPSR1HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL22283529 0.84 HCAR2 (0.79) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31268133 0.84 HCAR2 (0.52) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2323106 0.82 NPSR1 (0.65) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2323099 0.82 NPSR1 (0.65) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27543377 0.81 HDAC3 (0.67) NPSR1HDAC3HDAC4HDAC1HDAC7

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-118666617-A Method for catalyzing meta-hydrocarbon olefination of derivative of benzoic acid by palladium 浙江九洲药业股份有限公司 2024-09-20 CN disclosed
WO-2024187498-A1 METHOD FOR CATALYZING META-HYDROCARBON OLEFINATION OF BENZOIC ACID DERIVATIVE BY PALLADIUM 浙江九洲药业股份有限公司 2024-09-19 WO disclosed
EP-0080516-A1 Stable insecticide containing latexes, method of making and method of distributing insecticide THE DOW CHEMICAL COMPANY (US) 1983-06-08 EP disclosed
US-4303642-A Corn rootworm control THE DOW CHEMICAL COMPANY (US) 1981-12-01 US disclosed