SCHEMBL7183867

SCHEMBL7183867

CC=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC)c(CC=CC)c1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.45
ABCG2 Q9UNQ0 1/20 0.40
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL7183863 1.00 PTPN1 (0.45) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7184425 0.92 PTPN1 (0.46) PTPN1ABCG2GABRA3GABRA2GABRB2
SCHEMBL7182535 0.91 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7182530 0.91 PTPN1 (0.44) PTPN1ABCG2
SCHEMBL7185987 0.90 PTPN1 (0.39) PTPN1
SCHEMBL7185979 0.90 PTPN1 (0.39) PTPN1
SCHEMBL7803225 0.89 DPP4 (0.42) PTPN1ABCG2
SCHEMBL7184383 0.89 DPP4 (0.42) PTPN1ABCG2
SCHEMBL7186656 0.88 PTPN1 (0.47) PTPN1
SCHEMBL7182405 0.87 PTPN1 (0.56) PTPN1

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