SCHEMBL9848837

SCHEMBL9848837

CCC/C(N)=C(/C)[C](C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CTSD P07339 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL2151557 0.78 CES1 (0.41) CES2CES1CTSDFFAR3HDAC3
SCHEMBL116654 0.78 CES1 (0.41) CES2CES1CTSDFFAR3HDAC3
Hydrochloric Acid SCHEMBL8900380 0.76 CES1 (0.39) CES2CES1CTSDFFAR3HDAC3
SCHEMBL1276172 0.76 HDAC3 (0.43) CES2CES1CTSDFFAR3HDAC3
Hydrochloric Acid SCHEMBL7043539 0.76 CES1 (0.39) CES2CES1CTSDFFAR3HDAC3
SCHEMBL3596261 0.76 HDAC3 (0.43) CES2CES1CTSDFFAR3HDAC3
SCHEMBL28230952 0.75
SCHEMBL16267551 0.75
Hydrochloric Acid SCHEMBL10322255 0.74 FNTA (0.42) CES2CES1CTSDFFAR3HDAC3
SCHEMBL372224 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021215028-A1 COMPOSITION, TRANSFER SHEET, MELAMINE DECORATIVE BOARD, AND METHOD FOR PRODUCING MELAMINE DECORATIVE BOARD アイカ工業株式会社 (JP) 2021-10-28 WO disclosed
WO-2020204206-A1 MULTILAYER TYPE COMPOSITION 花王株式会社 2020-10-08 WO disclosed
EP-0428970-A1 Process for preparing aqueous solutions or suspensions of quaternization products of tertiary aminoalkylesters or tertiary aminoalkylamides of acrylic or methacrylic acid, for instance of dimethylaminoethyl-acrylate-methochloride BASF Aktiengesellschaft (DE) 1991-05-29 EP disclosed
EP-0398022-A1 Method for the separation of oil in water emulsions Chemische Fabrik Stockhausen GmbH (DE) 1990-11-22 EP disclosed
EP-0371378-A1 Temporary coating of spraying booths Henkel Kommanditgesellschaft auf Aktien (DE) 1990-06-06 EP disclosed
EP-0364399-A2 Water soluble or water dispersible copolymers, their preparation and use CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
EP-0363319-A1 Water soluble or water dispersable graft polymers, their manufacture and their use CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed
EP-0278267-A1 Retanning process Chemische Fabrik Stockhausen GmbH (DE) 1988-08-17 EP disclosed