SCHEMBL7180109

SCHEMBL7180109

CC(C)=CCOc1ccc(C=O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.58
TRIM24 O15164 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
MAOB P27338 5/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MTNR1A P48039 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
ALOX5 P09917 1/20 0.44
PTPN1 P18031 2/20 0.43
ERN1 O75460 1/20 0.42

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
SCHEMBL11583616 0.84 ALOX5 (0.52) MAOBALDH1A1KDM4EMTNR1AMAPT
SCHEMBL7179024 0.82 ALDH1A1 (0.61) MAOBALDH1A1KDM4EMTNR1AMAPT
SCHEMBL6561561 0.81 TRIM24 (0.57) TYRTRIM24TRIM33MAOBALDH1A1
SCHEMBL29708063 0.80 TYR (0.66) TYRTRIM24TRIM33ALDH1A1KDM4E
SCHEMBL1004413 0.80 TYR (0.66) TYRTRIM24TRIM33ALDH1A1KDM4E
SCHEMBL6432997 0.78 MAOB (0.64) MAOBALDH1A1HPGD
SCHEMBL1960093 0.78 TYR (0.67) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL19025099 0.78 TYR (0.62) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL4556765 0.78 TYR (0.62) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL28486841 0.77 TYR (0.61) TYRTRIM24TRIM33ALDH1A1MAPT

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 6 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO 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