SCHEMBL8198634

SCHEMBL8198634

CCC=CCCCCCO.COC(C)(C)CCCC(C)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
FABP3 P05413 2/20 0.33
LPAR1 Q92633 1/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
MAPT P10636 2/20 0.31
CYP19A1 P11511 2/20 0.31
OXER1 Q8TDS5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
FFAR1 O14842 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL8198627 1.00 LPAR2 (0.33) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL8230665 0.85 LPAR2 (0.33) LPAR2LPAR3FABP3LPAR1
SCHEMBL114177 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1LMNATSHR
SCHEMBL4339464 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL8695877 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL25327373 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL4341933 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL6438450 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL4335893 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1
SCHEMBL1301319 0.71 ALDH1A1 (0.50) LPAR2LPAR3FABP3LPAR1ALDH1A1

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-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed