SCHEMBL7183883

SCHEMBL7183883

C=CCOc1ccc(C(=O)C=Cc2cc(C)c(OCCCC)cc2OCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.56
DPP4 P27487 5/20 0.53
ABCG2 Q9UNQ0 2/20 0.48

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
SCHEMBL7185133 0.96 PTPN1 (0.56) PTPN1DPP4ABCG2
SCHEMBL7802514 0.91 PTPN1 (0.58) PTPN1DPP4ABCG2
SCHEMBL7188823 0.91 PTPN1 (0.58) PTPN1DPP4ABCG2
SCHEMBL9112573 0.89 DPP4 (0.59) PTPN1DPP4ABCG2
SCHEMBL9113077 0.89 DPP4 (0.56) PTPN1DPP4ABCG2
SCHEMBL7180456 0.88 PTPN1 (0.67) PTPN1DPP4ABCG2
SCHEMBL7185102 0.88 PTPN1 (0.59) PTPN1DPP4ABCG2
SCHEMBL7796284 0.87 CYP1A1 (0.56) PTPN1DPP4ABCG2
SCHEMBL9114453 0.87 DPP4 (0.59) PTPN1DPP4ABCG2
SCHEMBL7186407 0.87 PTPN1 (0.53) PTPN1DPP4ABCG2

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 6 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 claimed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed