SCHEMBL6967729

SCHEMBL6967729

CCCC=CCOC(=O)OC=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
FAAH O00519 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL3300253 0.86 ALDH1A1 (0.42) PTGS1FAAHALDH1A1MAPTTAS1R3
SCHEMBL6972696 0.84 PTGS1 (0.37) PTGS1ALDH1A1MAPT
SCHEMBL11121776 0.80 ALDH1A1 (0.54) PTGS1FAAHALDH1A1MAPT
SCHEMBL11121777 0.80 ALDH1A1 (0.54) PTGS1FAAHALDH1A1MAPT
SCHEMBL3299574 0.80 TAS1R3 (0.39) PTGS1FAAHALDH1A1TAS1R3TAS1R1
SCHEMBL3300822 0.80 TAS1R3 (0.39) PTGS1FAAHALDH1A1TAS1R3TAS1R1
SCHEMBL6973672 0.80 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL6967055 0.78
SCHEMBL6967723 0.76 PTGS1 (0.31) PTGS1FAAH
SCHEMBL6967726 0.76 PTGS1 (0.31) PTGS1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed