SCHEMBL7182687

SCHEMBL7182687

CCCc1ccc(OC(C)C)c(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
PPARA Q07869 1/20 0.35
MAOB P27338 6/20 0.35
MAOA P21397 1/20 0.35
DPP4 P27487 3/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL7182682 1.00 KDM4E (0.36) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7178972 0.89 ELANE (0.38) ABCG2MAOBPTPN1
SCHEMBL7178970 0.89 ELANE (0.38) ABCG2MAOBPTPN1
SCHEMBL7181160 0.89 PTPN1 (0.42) PTPN1
SCHEMBL7181168 0.89 PTPN1 (0.42) PTPN1
SCHEMBL7185823 0.88 KDM4E (0.36) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7185829 0.88 KDM4E (0.36) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7185131 0.88 PPARA (0.38) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7185125 0.88 PPARA (0.38) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7804176 0.86 KDM4E (0.46) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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