SCHEMBL7186600

SCHEMBL7186600

CCOc1cc(O)c(CC)cc1/C=C/C(=O)c1ccc(NC)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.56
DPP4 P27487 5/20 0.52
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7186603 1.00 PTPN1 (0.56) PTPN1DPP4LMNAMAPTATM
SCHEMBL7186619 0.92 PTPN1 (0.53) PTPN1DPP4LMNAMAPTATM
SCHEMBL7186617 0.92 PTPN1 (0.53) PTPN1DPP4LMNAMAPTATM
SCHEMBL7177446 0.91 DPP4 (0.53) PTPN1DPP4
SCHEMBL7177441 0.91 DPP4 (0.53) PTPN1DPP4
SCHEMBL7184642 0.91 PTPN1 (0.70) PTPN1
SCHEMBL7184640 0.91 PTPN1 (0.70) PTPN1
SCHEMBL7184847 0.90 PTPN1 (0.62) PTPN1DPP4
SCHEMBL7184842 0.90 PTPN1 (0.62) PTPN1DPP4
SCHEMBL7178805 0.90 PTPN1 (0.56) PTPN1DPP4LMNAMAPTATM

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