SCHEMBL8362103

SCHEMBL8362103

O=C(O)CCCCCCCCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL28433233 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4834310 0.98 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8584248 0.95 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27533156 0.93 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9468429 0.89 ALDH1A1 (0.50) MAPTMAPK1SMN1; SMN2LMNATSHR
SCHEMBL5523432 0.87 ALDH1A1 (0.52) HDAC8MAPTMAPK1SMN1; SMN2TSHR
Succinic Acid SCHEMBL22217135 0.87 NR4A2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL125859 0.87 NR4A2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Maleic Acid SCHEMBL28187597 0.86 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30364316 0.84 ALDH1A1 (0.60) HDAC6MAPTMAPK1SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336946-A Rail transit rubber cable sheath material, its preparation method and application ZHEJIANG WANMA CABLE CO LTD 2012-02-01 CN disclosed
US-5932030-A NONTOXIC MIXTURE CONTAINING ROSIN AND N-SUBSTITUTED OR UNSUBSTITUTED 2-PYRROLIDONE SONY CORPORATION (JP) 1999-08-03 US disclosed
US-5116412-A Metal salt and polyol IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-26 US disclosed
EP-0409433-A1 Internal mould release compositions ATLAS EUROPOL SpA (IT) 1991-01-23 EP disclosed
US-4983659-A POLYUREA ELASTOMERS ICI AMERICAS INC. (US) 1991-01-08 US disclosed
US-4301186-A FOR IN SITU DECOMPOSITION BY RADIATION TO PRODUCE AMINES FOR HARDENING A POLYURETHANE OR EPOXY RESIN MONOMERS SOLUTION BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed