SCHEMBL7187527

SCHEMBL7187527

CC(C)(C)c1cc(C(CCCC(=O)O)(C(=O)O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCCCCC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 2/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
LTB4R Q15722 1/20 0.33
PTGS2 P35354 1/20 0.32
TSHR P16473 6/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HIF1A Q16665 1/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 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
SCHEMBL11728968 0.84 GPR84 (0.40) FFAR1NR5A2NR5A1HSPD1BLM
SCHEMBL8419030 0.84 GPR84 (0.40) FFAR1NR5A2NR5A1HSPD1BLM
SCHEMBL2542322 0.84 GPR84 (0.40) FFAR1NR5A2NR5A1HSPD1BLM
SCHEMBL39475 0.84 GPR84 (0.40) FFAR1NR5A2NR5A1HSPD1BLM
SCHEMBL11739834 0.84 GPR84 (0.40) FFAR1NR5A2NR5A1HSPD1BLM
SCHEMBL38444 0.82 VCAM1 (0.46) VCAM1NR5A2NR5A1PTGS2TSHR
SCHEMBL27475122 0.81 VCAM1 (0.45) VCAM1BLMPTGS2TSHRCYP2C9
SCHEMBL4384130 0.77 VCAM1 (0.49) VCAM1FFAR4FFAR1TSHRHSD17B10
SCHEMBL27383361 0.77 VCAM1 (0.49) VCAM1FFAR4FFAR1TSHRHSD17B10
SCHEMBL4398044 0.77 VCAM1 (0.49) VCAM1FFAR4FFAR1TSHRHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728806-B2 Synergistic stabiliser mixture CIBA SC HOLDING AG (CH) 2003-05-14 EP disclosed