SCHEMBL7190901

SCHEMBL7190901

C/C=C/Cc1cc(/C=C/C(=O)c2ccc(NC)cc2)c(OCC)c(C/C=C/C)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.41
DPP4 P27487 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
MAOB P27338 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL7190903 1.00 PTPN1 (0.41) PTPN1DPP4LMNAMAPTSMN1; SMN2
SCHEMBL7184617 0.92 DPP4 (0.39) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7184613 0.92 DPP4 (0.39) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL7190096 0.90 PTPN1 (0.44) PTPN1LMNAMAPTSMN1; SMN2ABCG2
SCHEMBL7190102 0.90 PTPN1 (0.44) PTPN1LMNAMAPTSMN1; SMN2ABCG2
SCHEMBL7184051 0.90 ABCG2 (0.47) PTPN1DPP4LMNAMAPTSMN1; SMN2
SCHEMBL7184046 0.90 ABCG2 (0.47) PTPN1DPP4LMNAMAPTSMN1; SMN2
SCHEMBL7186754 0.89 CTSL (0.44) PTPN1DPP4LMNAMAPTSMN1; SMN2
SCHEMBL7186749 0.89 CTSL (0.44) PTPN1DPP4LMNAMAPTSMN1; SMN2
SCHEMBL7185041 0.87 PTPN1 (0.36) PTPN1LMNAMAPTSMN1; SMN2ALDH1A1

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