SCHEMBL8058019

SCHEMBL8058019

COC(=O)c1cc(C#C[Si](C)(C)C)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.58
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
PTGS2 P35354 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
HNF4A P41235 1/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
EGFR P00533 3/20 0.41
NOX4 Q9NPH5 1/20 0.41
GAA P10253 1/20 0.41
XDH P47989 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRA1 P14867 2/20 0.39

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
SCHEMBL6872253 0.88 CA12 (0.54) PTPN11CA12CA1CA2CA7
SCHEMBL21052511 0.88 PTPN11 (0.44) PTPN11CA12CA1CA2CA7
SCHEMBL28568675 0.85 GABRA1 (0.44) PTPN11CA12CA1CA2CA7
SCHEMBL1785873 0.84 MEN1 (0.45) PTPN11TSHRLMNAGAAHPGD
SCHEMBL8206002 0.83 PTPN11 (0.66) PTPN11CA12CA1CA2CA7
SCHEMBL9081505 0.82 PTPN11 (0.39) PTPN11CA12CA1CA2CA7
SCHEMBL8180164 0.82 GABRA1 (0.41) PTPN11CA12CA1CA2CA7
SCHEMBL7703308 0.81 PTPN11 (0.68) PTPN11CA12CA1CA2CA7
SCHEMBL7728547 0.81 NQO2 (0.39) PTPN11CA12CA1CA2CA7
SCHEMBL2335866 0.81 ABL1 (0.42) PTPN11CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 CN disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
CN-1088918-A The salicylic acid compounds of new replacement KABI PHARMACIA AB (SE) 1994-07-06 CN disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 WO disclosed