SCHEMBL7183553

SCHEMBL7183553

C=C(C)Oc1ccc(C(=O)C=Cc2cc(CCC)c(OC)cc2OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.59
ABCG2 Q9UNQ0 2/20 0.55
TNFRSF1A P19438 1/20 0.51
DPP4 P27487 3/20 0.50

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
SCHEMBL7183548 1.00 PTPN1 (0.59) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL9241078 0.89 TNFRSF1A (0.64) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL9241073 0.89 TNFRSF1A (0.64) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL7192132 0.88 PTPN1 (0.50) PTPN1ABCG2DPP4
SCHEMBL7192128 0.88 PTPN1 (0.50) PTPN1ABCG2DPP4
SCHEMBL7181537 0.88 PTPN1 (0.48) PTPN1ABCG2DPP4
SCHEMBL7192550 0.88 DPP4 (0.48) PTPN1ABCG2DPP4
SCHEMBL7184316 0.87 PTPN1 (0.69) PTPN1
SCHEMBL7184313 0.87 PTPN1 (0.69) PTPN1
SCHEMBL7191431 0.87 PTPN1 (0.52) PTPN1ABCG2DPP4

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