SCHEMBL13869746

SCHEMBL13869746

COC(=O)c1ccccc1SCCc1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
POLB P06746 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.41
FFAR1 O14842 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
SCHEMBL4964440 0.88 ALDH1A1 (0.50) EGFRPOLBHSD17B10ALDH1A1TSHR
SCHEMBL4963765 0.85 POLB (0.48) EGFRPOLBHSD17B10ALDH1A1TSHR
SCHEMBL13869738 0.81 POLB (0.56) POLBHSD17B10ALDH1A1MEN1GAA
SCHEMBL13869757 0.81 MAPK1 (0.60) EGFRPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL13869741 0.80 POLB (0.57) EGFRPOLBHSD17B10ALDH1A1TSHR
SCHEMBL4962386 0.80 TRPM8 (0.58) EGFRHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9658985 0.79 HSD17B10 (0.72) EGFRPOLBHSD17B10ALDH1A1TSHR
SCHEMBL6380511 0.78 PTGS2 (0.56) EGFRPOLBHSD17B10ALDH1A1TSHR
SCHEMBL14518119 0.76 MAPT (0.61) POLBALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL12687870 0.75 ALDH1A1 (0.59) POLBALDH1A1KDM4EL3MBTL1MAPT

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
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed