SCHEMBL7184733

SCHEMBL7184733

C=CCc1ccc(OC)c(/C=C/C(=O)c2ccc(O)cc2)c1OC

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.62
CAPN1 P07384 2/20 0.55
MAOB P27338 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.51
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7184735 1.00 PTPN1 (0.62) PTPN1CAPN1MAOBABCG2CTSL
SCHEMBL7191162 0.90 CA1 (0.55) PTPN1ABCG2CTSLCTSB
SCHEMBL7191161 0.90 CA1 (0.55) PTPN1ABCG2CTSLCTSB
SCHEMBL7191664 0.88 PTPN1 (0.48) PTPN1ABCG2
SCHEMBL7186223 0.88 PTPN1 (0.50) PTPN1ABCG2
SCHEMBL7191659 0.88 PTPN1 (0.48) PTPN1ABCG2
SCHEMBL7186220 0.88 PTPN1 (0.50) PTPN1ABCG2
SCHEMBL7186106 0.87 PTPN1 (0.64) PTPN1ABCG2
SCHEMBL7186112 0.87 PTPN1 (0.64) PTPN1ABCG2
SCHEMBL7184247 0.86 PTPN1 (0.52) PTPN1ABCG2

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