SCHEMBL11249189

SCHEMBL11249189

CC(=O)Oc1cccc(C)c1OS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
ACHE P22303 2/20 0.44
HTT P42858 1/20 0.43
BLM P54132 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL14500654 0.83 TSHR (0.46) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL29940577 0.83 PTPN1 (0.68) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1143040 0.83 PTPN1 (0.68) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9957302 0.81 MAPK1 (0.49) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6940134 0.78 KEAP1 (0.41) KDM4EALDH1A1HSD17B10HPGDACHE
SCHEMBL27597873 0.75 PTGS2 (0.57) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2059537 0.74 KDM4E (0.71) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5212814 0.74 MAPK1 (0.71) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9957174 0.74 TUBB4A (0.46) PTPN1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL27584645 0.74 TRPA1 (0.43) KDM4EALDH1A1HSD17B10HPGDL3MBTL1

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
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 US claimed