SCHEMBL7187417

SCHEMBL7187417

CCCc1ccc(OC(C)(C)C)c(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)c1OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.36
LMNA P02545 6/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
MAOB P27338 2/20 0.33
ATM Q13315 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KRAS P01116 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAOA P21397 2/20 0.32

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
SCHEMBL7187421 1.00 MAPT (0.38) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7184912 0.88 ABCG2 (0.43) MAPTKMT2ARAB9AABCG2LMNA
SCHEMBL7184914 0.88 ABCG2 (0.43) MAPTKMT2ARAB9AABCG2LMNA
SCHEMBL7185708 0.87 CA1 (0.43) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7185711 0.87 CA1 (0.43) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7190747 0.86 PTPN1 (0.42) ABCG2
SCHEMBL7190743 0.86 PTPN1 (0.42) ABCG2
SCHEMBL7191587 0.85 ABCG2 (0.36) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7191583 0.85 ABCG2 (0.36) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7189594 0.85 ABCG2 (0.49) MAPTALDH1A1KMT2AABCG2LMNA

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