SCHEMBL7184822

SCHEMBL7184822

CCCc1cc(CCC)c(OC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
KRAS P01116 1/20 0.42
ELANE P08246 3/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.40
TNFRSF1A P19438 1/20 0.40
MAOB P27338 1/20 0.40
F3 P13726 2/20 0.40
P4HB P07237 1/20 0.39
CALM1 P0DP23 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
XDH P47989 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7184827 1.00 PTPN1 (0.43) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL7184593 0.92 MAPT (0.46) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL7184599 0.92 MAPT (0.46) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL9198773 0.92 LMNA (0.40) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL9198763 0.92 LMNA (0.40) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL7179213 0.91 MAOB (0.44) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7179218 0.91 MAOB (0.44) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7185138 0.90 ABCG2 (0.47) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL7185141 0.90 ABCG2 (0.47) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL7178711 0.89 PPARG (0.40) PTPN1ABCG2ELANEBCHE

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 3 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