SCHEMBL5313558

SCHEMBL5313558

CCON=C(COc1ccc(CC(=O)O)cc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.49
FFAR1 O14842 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PPARD Q03181 1/20 0.42
NR3C1 P04150 1/20 0.42
AKR1C3 P42330 1/20 0.42
PLA2G4B P0C869 2/20 0.42
FABP1 P07148 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5313553 1.00 SRD5A2 (0.49) SRD5A2FFAR1SMN1; SMN2FFAR4PPARD
SCHEMBL5310252 0.92 FFAR1 (0.47) SRD5A2FFAR1SMN1; SMN2PPARDAKR1C3
SCHEMBL5310255 0.92 FFAR1 (0.47) SRD5A2FFAR1SMN1; SMN2PPARDAKR1C3
SCHEMBL5335188 0.90 FFAR1 (0.43) SRD5A2FFAR1AKR1C3PLA2G4BFABP1
SCHEMBL5335192 0.90 FFAR1 (0.43) SRD5A2FFAR1AKR1C3PLA2G4BFABP1
SCHEMBL5315649 0.88 LMNA (0.44) SRD5A2FFAR1AKR1C3NPC1
SCHEMBL5315653 0.88 LMNA (0.44) SRD5A2FFAR1AKR1C3NPC1
SCHEMBL5313544 0.85 FFAR1 (0.42) SRD5A2FFAR1SMN1; SMN2AKR1C3FABP1
SCHEMBL5313546 0.85 FFAR1 (0.42) SRD5A2FFAR1SMN1; SMN2AKR1C3FABP1
SCHEMBL5315624 0.84 L3MBTL1 (0.43) SMN1; SMN2AKR1C3NPC1POLBCYP2C9

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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed