SCHEMBL7122498

SCHEMBL7122498

C/C=C/CCCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
DGKA P23743 1/20 0.37
FAAH O00519 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
GMNN O75496 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
CETP P11597 2/20 0.32
MAPK1 P28482 2/20 0.32
CXCR5 P32302 2/20 0.32
CCR6 P51684 2/20 0.32
BLM P54132 2/20 0.32

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
SCHEMBL7122504 1.00 THRB (0.40) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL11333970 0.91 FFAR1 (0.42) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL5703445 0.86
SCHEMBL7119983 0.86
SCHEMBL354046 0.85 SOAT1 (0.37) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL30697476 0.82 USP2 (0.50) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL14144643 0.82 FFAR1 (0.38) DGKAFAAHFFAR1FFAR4
SCHEMBL7116185 0.80 DGKA (0.39) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL7116188 0.80 DGKA (0.39) THRBDGKAFAAHLMNAALDH1A1
SCHEMBL17238238 0.80 FFAR1 (0.44) DGKAFAAHLMNAFFAR1FFAR4

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