SCHEMBL6934243

SCHEMBL6934243

COC(=O)c1ccccc1Sc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
PKLR P30613 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL5887723 0.84 SIRT1 (0.61) MAPTPOLBHSD17B10TSHRLMNA
SCHEMBL6934406 0.83 HSD17B10 (0.53) MAPTPOLBHSD17B10TSHRLMNA
SCHEMBL6934354 0.81 SIRT1 (0.53) SMN1; SMN2MAPTPOLBLMNAL3MBTL1
SCHEMBL4440485 0.81 HSD17B10 (0.64) SMN1; SMN2MAPTPOLBHSD17B10TSHR
SCHEMBL9150092 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1SIRT1KMT2A
SCHEMBL9150088 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1SIRT1KMT2A
SCHEMBL9151841 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1SIRT1KMT2A
SCHEMBL6632593 0.80 SIRT1 (0.70) SMN1; SMN2MAPTHSD17B10TSHRLMNA
SCHEMBL28189180 0.79 SIRT1 (0.54) MAPTPOLBHSD17B10TSHRLMNA
SCHEMBL4802025 0.79 MAPT (0.55) SMN1; SMN2MAPTPOLBHSD17B10TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed