SCHEMBL7963843

SCHEMBL7963843

Cc1ccc(C(=O)O)c(C)c1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.40
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MCL1 Q07820 1/20 0.39
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL3073816 0.84 CYP1A2 (0.44) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL6235114 0.83 SIRT3 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11773347 0.83 SIRT3 (0.31) HAAOHPGDTDP1
SCHEMBL28649241 0.81 HAAO (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11723799 0.81 HAAO (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11777515 0.81 SELL (0.54) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL29370019 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL242262 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28033212 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11775719 0.79 KDM4E (0.40) HAAOCYP1A2ALDH1A1KDM4EHPGD

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed