SCHEMBL5056707

SCHEMBL5056707

CC/C=C/CCCC(=O)O.CC/C=C/CCc1cccc(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
F7 P08709 6/20 0.52
F3 P13726 6/20 0.52
CYP19A1 P11511 5/20 0.52
PPARG P37231 5/20 0.52
KMT2A Q03164 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
OXER1 Q8TDS5 3/20 0.52
PTGS1 P23219 2/20 0.52
RXRA P19793 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
HMGB1 P09429 1/20 0.52
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL31354821 0.91 HMGB1 (0.62) ALDH1A1F7F3HMGB1MAPT
SCHEMBL16240898 0.91 HMGB1 (0.62) ALDH1A1F7F3HMGB1MAPT
SCHEMBL235534 0.91 HMGB1 (0.62) ALDH1A1F7F3HMGB1MAPT
SCHEMBL8395993 0.91 HMGB1 (0.62) ALDH1A1F7F3HMGB1MAPT
SCHEMBL5056716 0.81 ALDH1A1 (0.50) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL29700466 0.79 HMGB1 (0.43) F7F3KMT2AHMGB1MAPT
SCHEMBL2817104 0.78 FOLH1 (0.54) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL2817110 0.78 FOLH1 (0.54) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL30937336 0.78 BID (0.47) F7F3HMGB1MAPTKDM4E
SCHEMBL23748665 0.77 HMGB1 (0.43) ALDH1A1F7F3CYP19A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed