SCHEMBL7184518

SCHEMBL7184518

C=CCc1ccc(OCC)c(C=CC(=O)c2ccc(OC(=C)C)cc2)c1OCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.48
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
MAOB P27338 5/20 0.41
MAOA P21397 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL7184513 1.00 PTPN1 (0.48) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7191519 0.90 PTPN1 (0.43) PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7184796 0.90 PTPN1 (0.43) PTPN1ABCG2
SCHEMBL7192095 0.89 MAPT (0.42) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7192105 0.89 MAPT (0.42) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7178649 0.88 PTPN1 (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7178652 0.88 PTPN1 (0.49) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7184530 0.88 PTPN1 (0.55) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7192693 0.88 PTPN1 (0.55) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7182752 0.86 PTPN1 (0.52) PTPN1LMNAMAOBABCG2CYP1A1

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