SCHEMBL7122450

SCHEMBL7122450

CC=CCC=CC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
AHCY P23526 3/20 0.32
ALDH1A1 P00352 1/20 0.31
F13A1 P00488 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PTGS1 P23219 1/20 0.31
FASN P49327 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7122448 1.00 AKR1B1 (0.36) AKR1B1AHCYALDH1A1F13A1MAPT
SCHEMBL10613631 0.78
SCHEMBL5380377 0.78
SCHEMBL12122486 0.78
SCHEMBL1848491 0.78
SCHEMBL1848490 0.78
SCHEMBL12124671 0.78
Ethylene Glycol SCHEMBL1425224 0.74 AKR1B1 (0.39) AKR1B1TDP1
Ethylene Glycol SCHEMBL6673939 0.74 AKR1B1 (0.39) AKR1B1TDP1
SCHEMBL6030042 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed