SCHEMBL7178652

SCHEMBL7178652

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.49
ELANE P08246 1/20 0.43
MAOB P27338 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7178649 1.00 PTPN1 (0.49) PTPN1ELANEMAOBABCG2CYP1A1
SCHEMBL7184997 0.91 PTPN1 (0.44) PTPN1ELANEABCG2
SCHEMBL7191873 0.91 PTPN1 (0.44) PTPN1ELANEABCG2CYP1A1CYP1B1
SCHEMBL7184493 0.90 PTPN1 (0.49) PTPN1MAOBABCG2CYP1A1CYP1B1
SCHEMBL7184487 0.90 PTPN1 (0.49) PTPN1MAOBABCG2CYP1A1CYP1B1
SCHEMBL7186005 0.89 PTPN1 (0.52) PTPN1ELANEMAOBABCG2CYP1A1
SCHEMBL7186007 0.89 PTPN1 (0.52) PTPN1ELANEMAOBABCG2CYP1A1
SCHEMBL7186171 0.88 MAOB (0.42) ELANEMAOBABCG2CYP1A1CYP1B1
SCHEMBL7186167 0.88 MAOB (0.42) ELANEMAOBABCG2CYP1A1CYP1B1
SCHEMBL7184518 0.88 PTPN1 (0.48) PTPN1MAOBABCG2CYP1A1CYP1B1

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