SCHEMBL5161874

SCHEMBL5161874

CCCC(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGS1 P23219 1/20 0.49
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
AKR1C3 P42330 1/20 0.41
GLI1 P08151 1/20 0.39
GLI2 P10070 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
FFAR1 O14842 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5161879 1.00 ALDH1A1 (0.54) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL27413143 0.93 ALDH1A1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863147 0.92 ALDH1A1 (0.55) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863148 0.92 ALDH1A1 (0.55) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863226 0.91 ALDH1A1 (0.51) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863225 0.91 ALDH1A1 (0.51) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863150 0.89 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863144 0.89 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11045825 0.85 ALDH1A1 (0.54) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9862890 0.85 ALDH1A1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090467-A Desinsection and miticide composition SUMITOMO CHEM IND (JP) 1994-08-10 CN claimed
US-7198941-B2 Porous vessel bioreactor COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-04-03 US disclosed
EP-1570044-B1 POROUS VESSEL BIOREACTOR COUNCIL SCIENT IND RES (IN) 2007-03-21 EP disclosed
EP-1570044-A1 POROUS VESSEL BIOREACTOR Council of Scientific and Industrial Research (IN) 2005-09-07 EP disclosed
WO-2004050823-A1 POROUS VESSEL BIOREACTOR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-06-17 WO disclosed
US-20040110280-A1 Novel porous vessel bioreactor COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-06-10 US disclosed
US-4985365-A WITH AN ESTERASE FROM A MICROORGANISM, ASSYMETRIC HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-01-15 US disclosed
EP-0080827-B1 METHOD FOR BIOTECHNOLOGICALLY PREPARING (S)-(-)-ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP disclosed
EP-0080827-A2 Method for biotechnologically preparing (S)-(-)-alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 EP disclosed