SCHEMBL7188002

SCHEMBL7188002

CCCc1cc(/C=C/C(=O)c2ccc(N)cc2)c(OC)cc1O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.68
CTSL P07711 1/20 0.62
CTSB P07858 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.55
DPP4 P27487 7/20 0.55
SNCA P37840 1/20 0.54

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
SCHEMBL7188008 1.00 PTPN1 (0.68) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL9199065 0.98 PTPN1 (0.65) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL9199053 0.98 PTPN1 (0.65) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7179767 0.92 PTPN1 (0.72) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7179763 0.92 PTPN1 (0.72) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7177363 0.91 PTPN1 (0.73) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7188200 0.91 ABCG2 (0.61) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7188207 0.91 ABCG2 (0.61) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7192537 0.91 PTPN1 (0.73) PTPN1CTSLCTSBABCG2DPP4
SCHEMBL7190971 0.90 PTPN1 (0.55) PTPN1CTSLCTSBDPP4

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 3 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