SCHEMBL7184868

SCHEMBL7184868

C=CCOc1ccc(C(=O)C=Cc2cc(OCC)ccc2OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.60
DPP4 P27487 2/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.53
MAOB P27338 7/20 0.52
MAOA P21397 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL7192513 0.92 DPP4 (0.63) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL7192505 0.92 DPP4 (0.63) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL7184786 0.91 CYP1A1 (0.60) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL7802506 0.91 CYP1A1 (0.60) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL9115041 0.88 PTPN1 (0.57) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL9115047 0.88 PTPN1 (0.57) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL7188823 0.86 PTPN1 (0.58) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL7802514 0.86 PTPN1 (0.58) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL9111742 0.86 PTPN1 (0.57) PTPN1DPP4MAPTLMNAKDM4E
SCHEMBL9111733 0.86 PTPN1 (0.57) PTPN1DPP4MAPTLMNAKDM4E

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 5 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed