SCHEMBL6680852

SCHEMBL6680852

CCCCC(=CCl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
APEX1 P27695 1/20 0.42
AKR1B1 P15121 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL6680849 1.00 ALDH1A1 (0.46) ALDH1A1TP53CES1CES2APEX1
SCHEMBL9851525 0.91 GPR84 (0.52) ALDH1A1CES1CES2APEX1AKR1B1
SCHEMBL28216291 0.86
SCHEMBL8089512 0.81 CES1 (0.48) ALDH1A1TP53CES1CES2APEX1
SCHEMBL481537 0.81 CES1 (0.48) ALDH1A1TP53CES1CES2APEX1
SCHEMBL88045 0.81 CES1 (0.48) ALDH1A1TP53CES1CES2APEX1
SCHEMBL1287562 0.81 CES1 (0.48) ALDH1A1TP53CES1CES2APEX1
SCHEMBL3344502 0.81 CES1 (0.48) ALDH1A1TP53CES1CES2APEX1
SCHEMBL3368513 0.79 CAMK2A (0.46) GPR84TSHRFFAR1FFAR4
SCHEMBL9440086 0.79 CES1 (0.46) ALDH1A1TP53CES1CES2APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471393-A2 Toner for developing electrostatic images containing specified binder resin, process for preparing the same, developer for developing electrostatic images, and image forming method FUJI XEROX CO., LTD (JP) 2004-10-27 EP disclosed
US-20040191662-A1 Toner for developing electrostatic images containing specified binder resin, process for preparing the same,developer for developing electrostatic images, and image forming method FUJI XEROX CO., LTD. (JP) 2004-09-30 US disclosed
EP-1144189-A1 WATER-BASED, HEAT SEALABLE ADHESIVE FOR LAMINATING DECORATIVE PANELS Ato Findley Inc (US) 2001-10-17 EP disclosed
WO-2001062492-A1 HOT MELT ADHESIVE HAVING ELEVATED HARDNESS FOR LAMINATING DECORATIVE LAYERS TO WOOD ATO FINDLEY, INC. (US) 2001-08-30 WO disclosed
WO-2000040403-A1 WATER-BASED, HEAT SEALABLE ADHESIVE FOR LAMINATING DECORATIVE PANELS ATO FINDLEY, INC. (US) 2000-07-13 WO disclosed