SCHEMBL7189381

SCHEMBL7189381

CCOc1cc(O)c(C)cc1/C=C/C(=O)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.58
DPP4 P27487 8/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
KRAS P01116 1/20 0.45

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
SCHEMBL7189383 1.00 PTPN1 (0.58) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7185991 0.91 PTPN1 (0.56) PTPN1DPP4CTSLCTSBCA1
SCHEMBL7185985 0.91 PTPN1 (0.56) PTPN1DPP4CTSLCTSBCA1
SCHEMBL7191601 0.90 MAPT (0.51) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7185017 0.90 DPP4 (0.56) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7191596 0.90 MAPT (0.51) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7185020 0.90 DPP4 (0.56) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7177758 0.88 PTPN1 (0.58) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7177757 0.88 PTPN1 (0.58) PTPN1DPP4CTSLCTSBLMNA
SCHEMBL7184180 0.86 PTPN1 (0.76) PTPN1DPP4CTSLCTSBCA1

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