SCHEMBL7142073

SCHEMBL7142073

O=C(O)OC1=Cc2cc(S(=O)(=O)Cc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.41
PTGS1 P23219 6/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.35
DAO P14920 1/20 0.35
P2RY6 Q15077 3/20 0.34
DRD5 P21918 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
OPRM1 P35372 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL7146763 0.85 HPGD (0.46) PTGS2PTGS1TSHRLMNA
SCHEMBL214253 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6093373 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7148773 0.83 AKR1C3 (0.44) LMNA
SCHEMBL7143166 0.82 PTGS2 (0.43) PTGS2PTGS1P2RY6DRD5ADRA2A
SCHEMBL7140517 0.82 PTGS2 (0.46) PTGS2PTGS1P2RY6DRD5ADRA2A
SCHEMBL7145220 0.80 PTGS2 (0.43) PTGS2PTGS1TSHRP2RY6DRD5
SCHEMBL7144308 0.80 PTGS2 (0.43) PTGS2PTGS1P2RY6DRD5ADRA2A
SCHEMBL7145921 0.79 PTGS2 (0.43) PTGS2PTGS1TSHRLMNA
SCHEMBL7149491 0.79 KDM4E (0.44) PTGS2PTGS1P2RY6DRD5ADRA2A

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
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed