SCHEMBL6937175

SCHEMBL6937175

COc1cccc(Sc2ccccc2CO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR3A P46098 1/20 0.52
EDNRA P25101 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP12 P39900 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
DHFR P00374 1/20 0.47
POLB P06746 1/20 0.47
MMP14 P50281 1/20 0.46
APOBEC3G Q9HC16 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
IDO1 P14902 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL7108674 0.88 IDO1 (0.52) HTR1AHTR3AMMP2MMP9MMP12
SCHEMBL6935793 0.85 HTR1A (0.52) HTR1AHTR3AEDNRAPTGDR2MMP2
SCHEMBL4446703 0.84 SLC6A4 (0.56) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL6932107 0.84 MMP2 (0.70) HTR1AHTR3AEDNRAPTGDR2MMP2
SCHEMBL9151160 0.83 MMP2 (0.54) HTR1AHTR3AEDNRAPTGDR2MMP2
SCHEMBL4808474 0.83 MEN1 (0.66) HTR1AHTR3AMMP2MMP9MMP12
SCHEMBL13381798 0.82 MEN1 (0.70) HTR1AHTR3APTGDR2MMP2MMP9
SCHEMBL10359006 0.82 SLC6A4 (0.66) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL6540104 0.82 TAAR1 (0.50) HTR1AHTR3APTGDR2MMP2MMP9
Hydrochloric Acid SCHEMBL10358493 0.81 SLC6A4 (0.64) HTR1AHTR3ASLC6A2SLC6A4SLC6A3

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