SCHEMBL9619166

SCHEMBL9619166

C=C(CCC)C(N)=O.CCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
CTSD P07339 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL422556 0.89
N,N-Dimethylethanaminium SCHEMBL446273 0.87 TDP1 (0.35) TDP1CES2CES1HDAC3HDAC1
Trimethylammonium SCHEMBL421126 0.86 TDP1 (0.38) TDP1CES2CES1HDAC3HDAC1
Methylamine SCHEMBL4377431 0.86 CES2 (0.41) TDP1CES2CES1HDAC3HDAC1
Hydrochloric Acid SCHEMBL6461485 0.86
Water SCHEMBL28252944 0.86
Ammonia Solution, Strong SCHEMBL8445489 0.86
SCHEMBL28204586 0.86
Trimethylammonium SCHEMBL2435214 0.84 TDP1 (0.36) TDP1CES2CES1HDAC3HDAC1
Trimethylammonium SCHEMBL28049127 0.84 TDP1 (0.36) TDP1CES2CES1HDAC3HDAC1

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
EP-0269187-B1 AMPHIPHATIC POLYMERIZABLE VINYL MONOMERS, VINYL RESIN PARTICLES DERIVED FROM SAID MONOMERS AND PREPARATION THEREOF Nippon Paint Co., Ltd. (JP) 1992-01-29 EP disclosed
US-5017646-A Paints NIPPON PAINT CO., LTD. (JP) 1991-05-21 US disclosed
EP-0231038-B1 VINYL RESIN MICROPARTICLES AND AQUEOUS EMULSION CONTAINING THE SAME Nippon Paint Co., Ltd. (JP) 1991-05-15 EP disclosed
US-4908468-A Amphiphatic polymerizable vinyl monomers, vinyl resin particles derived from said monomers and preparation thereof NIPPON PAINT CO., LTD. (JP) 1990-03-13 US disclosed
EP-0269187-A2 Amphiphatic polymerizable vinyl monomers, vinyl resin particles derived from said monomers and preparation thereof Nippon Paint Co., Ltd. (JP) 1988-06-01 EP disclosed
EP-0231038-A1 Vinyl resin microparticles and aqueous emulsion containing the same Nippon Paint Co., Ltd. (JP) 1987-08-05 EP disclosed