SCHEMBL5136928

SCHEMBL5136928

C=C(C)C1=NCCO1.C=C(CC)C(=O)O.C=C(CCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL8915754 0.85 MAPT (0.30)
Styrene SCHEMBL16739396 0.78 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL8535633 0.74
SCHEMBL2528688 0.73 FFAR3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29232743 0.72 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Trimethylammonium SCHEMBL524378 0.70 FFAR3 (0.37) HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL5988078 0.70 FFAR3 (0.37) HDAC3HDAC1HDAC2HDAC8
SCHEMBL8590123 0.68 ALDH1A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Butyrolactone SCHEMBL28503593 0.68 CA1 (0.42)
SCHEMBL9293056 0.68 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999238-B1 Water-absorbing agent and production process therefor NIPPON CATALYTIC CHEM IND (JP) 2008-07-09 EP disclosed
US-6297319-B1 CROSSLINKING TREATMENT OF A WATER-ABSORBENT RESIN WITH AN OXAZOLINE COMPOUND, ESPECIALLY AN ADDITION POLYMER OF AN UNSATURATED OXAZOLINE; ABSORPTION CAPACITY OF NOT LESS THAN 30 (G/G) UNDER NO LOAD NIPPON SHOKUBAI CO., LTD. (JP) 2001-10-02 US disclosed
EP-0999238-A1 Water-absorbing agent and production process therefor Nippon Shokubai Co., Ltd. (JP) 2000-05-10 EP disclosed