SCHEMBL7124765

SCHEMBL7124765

CCCC/C=C/C(O)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.46
SPHK1 Q9NYA1 4/20 0.46
CETP P11597 3/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 2/20 0.44
MAPK1 P28482 2/20 0.44
CXCR5 P32302 2/20 0.44
CCR6 P51684 2/20 0.44
BLM P54132 2/20 0.44
UBE2N P61088 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7124766 1.00 SPHK2 (0.46) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL22910799 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL641413 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL22986945 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL641414 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL30145014 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL12279939 0.92 SPHK2 (0.56) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL8185806 0.87 MEN1 (0.46) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL8185809 0.87 MEN1 (0.46) SPHK2SPHK1CETPMEN1KMT2A
SCHEMBL14334738 0.87 SPHK2 (0.37) SPHK2SPHK1CETPMEN1KMT2A

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