SCHEMBL2886658

SCHEMBL2886658

CC(CC(=O)O)c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 5/20 0.49
FFAR4 Q5NUL3 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL19554440 0.88 FFAR1 (0.56) SMN1; SMN2FFAR1FFAR4KMT2AMEN1
SCHEMBL2918902 0.87 FFAR1 (0.52) SMN1; SMN2FFAR1FFAR4POLBALDH1A1
SCHEMBL2886228 0.85 FFAR1 (0.62) SMN1; SMN2FFAR1FFAR4POLBALDH1A1
SCHEMBL2925885 0.83 FFAR1 (0.53) FFAR1FFAR4POLBALDH1A1TDP1
SCHEMBL10078103 0.83 FFAR1 (0.50) SMN1; SMN2FFAR1FFAR4POLBALDH1A1
SCHEMBL2912655 0.83 FFAR1 (0.54) FFAR1FFAR4POLBALDH1A1TSHR
SCHEMBL11595384 0.82 NR1H4 (0.56) SMN1; SMN2POLBALDH1A1TSHRKMT2A
SCHEMBL22823845 0.81 MAPK1 (0.62) SMN1; SMN2FFAR1FFAR4POLBALDH1A1
SCHEMBL22823697 0.81 FFAR1 (0.53) SMN1; SMN2FFAR1FFAR4POLBALDH1A1
SCHEMBL14924837 0.80 ALDH1A1 (0.54) SMN1; SMN2POLBALDH1A1TSHRTDP1

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-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed