SCHEMBL7177685

SCHEMBL7177685

C=C(C)Oc1ccc(C(=O)/C=C/c2c(OC(C)(C)C)ccc(C)c2OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
KRAS P01116 1/20 0.36
TNFRSF1A P19438 1/20 0.36
F3 P13726 1/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7177689 1.00 PTPN1 (0.39) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7185919 0.88 PTPN1 (0.41) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7185916 0.88 PTPN1 (0.41) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7183873 0.88 ELANE (0.45) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7795817 0.88 ELANE (0.45) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7191610 0.85 ABCG2 (0.55) PTPN1ABCG2LMNAMAPTATM
SCHEMBL7191605 0.85 ABCG2 (0.55) PTPN1ABCG2LMNAMAPTATM
SCHEMBL7178843 0.84 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7178840 0.84 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7185077 0.84 PTPN1 (0.39) PTPN1ABCG2LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed