SCHEMBL6475627

SCHEMBL6475627

CCC(C(=O)OC#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
ESR1 P03372 4/20 0.37
CYP19A1 P11511 4/20 0.37
ESR2 Q92731 2/20 0.37
PGR P06401 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11866525 0.78 ALDH1A1 (0.58) CES2CES1LMNAALDH1A1MAPK1
SCHEMBL28856142 0.77 ELANE (0.50) CES2CES1LMNAALDH1A1MAPT
SCHEMBL5564617 0.77 LMNA (0.39) CES2CES1LMNAALDH1A1MAPK1
SCHEMBL2991563 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5408181 0.76 CES2 (0.43) CES2CES1LMNAALDH1A1MAPT
SCHEMBL10615120 0.75 CES1 (0.52) CES2CES1LMNAALDH1A1MAPK1
SCHEMBL28285748 0.73 TSHR (0.44) CES2CES1LMNAALDH1A1MAPK1
SCHEMBL10982691 0.72 ESR1 (0.53) ALDH1A1MAPTESR1CYP19A1ESR2
SCHEMBL10982687 0.72 ESR1 (0.53) ALDH1A1MAPTESR1CYP19A1ESR2
SCHEMBL27786451 0.70 TDP1 (0.46) CES2CES1LMNAALDH1A1MAPK1

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
EP-1532196-A1 METHOD OF PRODUCING COLOURED PLASTICS OR POLYMERIC COLOUR PARTICLES Ciba SC Holding AG (CH) 2005-05-25 EP disclosed
WO-2004020505-A1 METHOD OF PRODUCING COLOURED PLASTICS OR POLYMERIC COLOUR PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
EP-0956280-A1 NON-VOLATILE PHENYLGLYOXALIC ESTERS Ciba SC Holding AG (CH) 1999-11-17 EP disclosed
WO-1998033761-A1 NON-VOLATILE PHENYLGLYOXALIC ESTERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-08-06 WO disclosed