SCHEMBL4635340

SCHEMBL4635340

C=CC(CC(=O)O)c1ccccc1.CCC=CCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CYP19A1 P11511 4/20 0.51
MAPT P10636 4/20 0.51
FFAR1 O14842 3/20 0.51
PPARG P37231 3/20 0.51
OXER1 Q8TDS5 3/20 0.51
RXRA P19793 2/20 0.51
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PTGS1 P23219 3/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3270768 0.82 FFAR1 (0.52) MAPTFFAR1LMNAGABBR2GABBR1
SCHEMBL14071758 0.82 FFAR1 (0.52) MAPTFFAR1LMNAGABBR2GABBR1
SCHEMBL2332638 0.73 CYP2C19 (0.46) ALDH1A1FFAR1KMT2AKDM4EMEN1
SCHEMBL8733336 0.73 FFAR1 (0.47) ALDH1A1MAPTFFAR1KMT2AKDM4E
Benzaldehyde SCHEMBL30544717 0.72 ALDH1A1 (0.62) ALDH1A1CYP19A1MAPTFFAR1PPARG
Acetophenone SCHEMBL30544718 0.72 ALDH1A1 (0.62) ALDH1A1CYP19A1MAPTFFAR1PPARG
SCHEMBL4635343 0.72 ALDH1A1 (0.62) ALDH1A1CYP19A1MAPTFFAR1PPARG
Ethylene SCHEMBL27764119 0.72 ALDH1A1 (0.79) ALDH1A1CYP19A1MAPTFFAR1PPARG
SCHEMBL841086 0.72
SCHEMBL113369 0.72

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