SCHEMBL4635343

SCHEMBL4635343

CCC=CCCC(=O)O.O=C(O)CCC=Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP19A1 P11511 4/20 0.62
PPARG P37231 3/20 0.62
OXER1 Q8TDS5 3/20 0.62
MAPT P10636 3/20 0.62
RXRA P19793 2/20 0.62
FFAR1 O14842 2/20 0.62
PAM P19021 1/20 0.53
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
PTGS1 P23219 3/20 0.50
PPARA Q07869 3/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 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
SCHEMBL666894 0.89 PAM (0.64) ALDH1A1MAPTPAMF3PPARA
SCHEMBL1232837 0.89 PAM (0.64) ALDH1A1MAPTPAMF3PPARA
SCHEMBL1231739 0.89 PAM (0.64) ALDH1A1MAPTPAMF3PPARA
Benzaldehyde SCHEMBL30544717 0.87 ALDH1A1 (0.62) ALDH1A1CYP19A1PPARGOXER1MAPT
Cinnamic Acid SCHEMBL29405897 0.81 HDAC3 (0.66) ALDH1A1MAPTFFAR1PAMF3
Acetophenone SCHEMBL30544718 0.80 ALDH1A1 (0.62) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL113369 0.80
SCHEMBL113370 0.80
SCHEMBL841086 0.80
SCHEMBL2308813 0.79 PAM (0.52) ALDH1A1MAPTPAMF3PPARA

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-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed