SCHEMBL8386107

SCHEMBL8386107

O=C1CCC(c2ccc(O)cc2)=C1c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 9/20 0.50
▸ PTGS2 P35354 9/20 0.50
▸ SENP1 Q9P0U3 1/20 0.50
▸ HSD17B1 P14061 2/20 0.47
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PREP P48147 1/20 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
SCHEMBL3821409 0.85 PTGS2 (0.75) PTGS1PTGS2
SCHEMBL978197 0.77 PTGS2 (0.68) PTGS1PTGS2
SCHEMBL10298881 0.72 PTGS2 (0.66) PTGS1PTGS2CYP2C9
SCHEMBL31349181 0.71 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL15286125 0.69 ESR1 (0.53) PTGS2HSD17B1ESR1ESR2GAA
SCHEMBL24809467 0.68 HSD17B1 (0.47) PTGS1PTGS2HSD17B1ESR1ESR2
SCHEMBL6632882 0.68 PTGS2 (0.62) PTGS1PTGS2GAA
SCHEMBL5549767 0.67 KMT2A (0.79) PTGS1PTGS2
SCHEMBL9630168 0.67 TDP2 (0.38) PTGS1PTGS2SENP1HSD17B1ESR1
SCHEMBL9176577 0.67 SENP1 (1.00) SENP1ESR1ESR2MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 — — EP disclosed
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 — — EP disclosed
US-5736579-A ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1998-04-07 — — US disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 — — US disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 — — EP disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 — — EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 — — WO disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 — — US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 — — WO disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 — — US disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 — — US disclosed
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