SCHEMBL8067249

SCHEMBL8067249

CC(=O)Oc1ccc(C=Cc2ccc(S(=O)(=O)O)cc2)cc1C(=O)OCC(C)C.[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
VCP P55072 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36

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
SCHEMBL8067245 1.00 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8058432 0.89 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
Potassium Ion SCHEMBL8067246 0.89 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8058430 0.89 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8072316 0.85 PTGS2 (0.48) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8069277 0.84 PTGS2 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL8069273 0.84 PTGS2 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
Potassium SCHEMBL8072319 0.83 PTGS2 (0.48) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
Potassium Ion SCHEMBL8072318 0.74 PTGS2 (0.48) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8071771 0.72 PTGS2 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1

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 6 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
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
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