SCHEMBL6658417

SCHEMBL6658417

CCC/C=C/C(=O)OCCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.67
ATM Q13315 1/20 0.54
MAPT P10636 3/20 0.48
APP P05067 2/20 0.47
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL17755418 1.00 HCAR2 (0.67) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL6658420 1.00 HCAR2 (0.67) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL1879844 0.88 ATM (0.61) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL6661633 0.88 ATM (0.73) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL6661635 0.88 ATM (0.73) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL1401100 0.88 HCAR2 (0.52) HCAR2ATMMAPTALDH1A1HPGD
SCHEMBL22588816 0.86 ATM (0.59) HCAR2ATMMAPTALDH1A1HPGD
SCHEMBL7756691 0.86 HCAR2 (0.55) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL28489018 0.86 ATM (0.59) HCAR2ATMMAPTALDH1A1HPGD
SCHEMBL265418 0.84 MAPT (0.66) HCAR2ATMMAPTALDH1A1NPSR1

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-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP disclosed