SCHEMBL13869741

SCHEMBL13869741

COC(=O)c1ccccc1SCCc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.49
PTGS2 P35354 1/20 0.48
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CRBN Q96SW2 1/20 0.44
EGFR P00533 1/20 0.43
IDO1 P14902 1/20 0.43
BACE1 P56817 1/20 0.43
GAA P10253 1/20 0.43
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42

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
SCHEMBL13869738 0.88 POLB (0.56) POLBHSD17B10ALDH1A1PTGS2KMT2A
SCHEMBL4003704 0.86 POLB (0.55) POLBHSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL6380511 0.84 PTGS2 (0.56) POLBHSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL4964440 0.82 ALDH1A1 (0.50) POLBHSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL13869746 0.80 EGFR (0.49) POLBHSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL10144072 0.79 HSD17B10 (0.67) POLBHSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL2797516 0.78 HSD17B10 (0.65) POLBHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL21505100 0.78 HSD17B10 (0.65) POLBHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL8628655 0.78 POLB (0.65) POLBHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL30149651 0.78 HSD17B10 (0.65) POLBHSD17B10ALDH1A1KDM4EKMT2A

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