SCHEMBL8925539

SCHEMBL8925539

CSc1ccc(-c2cc(C(F)(F)F)nn2C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
PTGS2 P35354 10/20 0.48
PTGS1 P23219 6/20 0.48
KCNH2 Q12809 3/20 0.46
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GCGR P47871 1/20 0.34
LMNA P02545 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
SCHEMBL8924318 0.81 PTGS2 (0.63) NR3C2PTGS2PTGS1
SCHEMBL3867900 0.78 PTGS2 (0.47) PTGS2KCNH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3980093 0.78 PTGS2 (0.44) PTGS2KCNH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1595377 0.76 NR3C2 (0.53) NR3C2PTGS2KCNH2SMN1; SMN2GCGR
SCHEMBL29496568 0.76 NR1H2 (0.57) NR3C2PTGS2PTGS1KCNH2
SCHEMBL16566078 0.76 NR1H2 (0.57) NR3C2PTGS2PTGS1KCNH2
SCHEMBL6722182 0.75 NR3C2 (0.49) NR3C2PTGS2PTGS1KCNH2
SCHEMBL13193333 0.75 PTGS2 (0.48) NR3C2PTGS2PTGS1KCNH2
SCHEMBL3863759 0.74 FAAH (0.40) PTGS2ALDH1A1HPGDGCGR
SCHEMBL3869299 0.74 FAAH (0.40) PTGS2ALDH1A1HPGDGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed