SCHEMBL7746003

SCHEMBL7746003

C/C=C/CCCC=CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
TBXAS1 P24557 3/20 0.39
MAPT P10636 3/20 0.38
TERT O14746 3/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
GMNN O75496 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
SCHEMBL27995449 1.00 BLM (0.42) BLMGABRR1GABRR2LMNAAPEX1
SCHEMBL27995239 0.98 BLM (0.41) BLMGABRR1GABRR2LMNAAPEX1
SCHEMBL11535812 0.95 PTPN1 (0.46) BLMGABRR1GABRR2LMNAAPEX1
SCHEMBL10683198 0.93 PTPN1 (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL27778721 0.93 PTPN1 (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL14899160 0.93 PTPN1 (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL12948060 0.93 PTPN1 (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL2382741 0.90 TSHR (0.46) BLMGABRR1GABRR2LMNAAPEX1
SCHEMBL2382740 0.90 TSHR (0.46) BLMGABRR1GABRR2LMNAAPEX1
SCHEMBL28170874 0.89 TOP1 (0.50) BLMLMNAAPEX1NPSR1TDP1

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
WO-2001053249-A1 PROCESS FOR THE CARBONYLATION OF BUTADIENE AND/OR AT LEAST ONE BUTADIENE DERIVATIVE DSM N.V. (NL) 2001-07-26 WO disclosed
EP-1118607-A1 Process for the carbonylation of butadiene and/or at least one butadiene derivative DSM N.V. (NL) 2001-07-25 EP disclosed
WO-2001021569-A1 PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID AND/OR ESTER THEREOF STARTING FROM BUTADIENE DSM N.V. (NL) 2001-03-29 WO disclosed
EP-1085004-A1 Process for the carbonylation of butadiene and/or butadiene derivative DSM N.V. (NL) 2001-03-21 EP disclosed