SCHEMBL7186229

SCHEMBL7186229

CCCc1cc(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c(OCC)cc1OCOC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.48
DPP4 P27487 5/20 0.47
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL7186235 1.00 PTPN1 (0.48) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL7192489 0.99 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL7192492 0.99 PTPN1 (0.49) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL7179047 0.94 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL7179051 0.94 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL9276301 0.94 PTPN1 (0.44) PTPN1DPP4CYP1A1CYP1B1KDM4E
SCHEMBL7187647 0.94 DPP4 (0.49) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7187638 0.94 DPP4 (0.49) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL9273424 0.93 PTPN1 (0.43) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7186050 0.93 DPP4 (0.50) PTPN1DPP4CYP1A1CYP1B1

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