SCHEMBL7189301

SCHEMBL7189301

C=CCc1cc(/C=C/C(=O)c2ccc(N)cc2)c(OCC)c(CC=C)c1O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.55
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL7189304 1.00 PTPN1 (0.55) PTPN1CTSLCTSB
SCHEMBL9287340 0.94 PTPN1 (0.50) PTPN1CTSLCTSB
SCHEMBL7179119 0.92 PTPN1 (0.48) PTPN1CTSLCTSB
SCHEMBL7179125 0.92 PTPN1 (0.48) PTPN1CTSLCTSB
SCHEMBL7186006 0.92 PTPN1 (0.59) PTPN1
SCHEMBL7186011 0.92 PTPN1 (0.59) PTPN1
SCHEMBL7177794 0.89 PTPN1 (0.56) PTPN1CTSLCTSB
SCHEMBL7177797 0.89 PTPN1 (0.56) PTPN1CTSLCTSB
SCHEMBL7187665 0.88 PTPN1 (0.53) PTPN1
SCHEMBL7187659 0.88 PTPN1 (0.53) 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 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