SCHEMBL7188905

SCHEMBL7188905

C=CCc1ccc(OC(C)C)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.51
ABCG2 Q9UNQ0 2/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL7191611 0.89 PTPN1 (0.42) PTPN1ABCG2CAPN1
SCHEMBL7185759 0.88 ABCG2 (0.43) PTPN1ABCG2CAPN1
SCHEMBL7186631 0.88 PTPN1 (0.59) PTPN1ABCG2CAPN1
SCHEMBL7192313 0.86 MAPT (0.45) PTPN1ABCG2CAPN1
SCHEMBL7186606 0.86 PTPN1 (0.51) PTPN1
SCHEMBL7186330 0.85 PTPN1 (0.60) PTPN1
SCHEMBL7186329 0.85 PTPN1 (0.60) PTPN1
SCHEMBL7185914 0.85 PTPN1 (0.46) PTPN1
SCHEMBL9206940 0.85 PTPN1 (0.46) PTPN1ABCG2CAPN1
SCHEMBL9197571 0.84 PTPN1 (0.47) 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