SCHEMBL7183995

SCHEMBL7183995

C=CCc1cc(/C=C/C(=O)c2ccc(NC)cc2)c(OC(C)C)cc1O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.66

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
SCHEMBL7183998 1.00 PTPN1 (0.66) PTPN1
SCHEMBL7190836 0.92 PTPN1 (0.55) PTPN1
SCHEMBL7190834 0.92 PTPN1 (0.55) PTPN1
SCHEMBL7189246 0.90 PTPN1 (0.64) PTPN1
SCHEMBL7182408 0.90 PTPN1 (0.52) PTPN1
SCHEMBL7186591 0.90 PTPN1 (0.78) PTPN1
SCHEMBL7182403 0.90 PTPN1 (0.52) PTPN1
SCHEMBL7186587 0.90 PTPN1 (0.78) PTPN1
SCHEMBL7182587 0.89 PTPN1 (0.53) PTPN1
SCHEMBL7182583 0.89 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