SCHEMBL7184599

SCHEMBL7184599

CCc1cc(CC)c(OC(=O)C(C)(C)C)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 4/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
ELANE P08246 3/20 0.45
KRAS P01116 1/20 0.44
MAPK1 P28482 1/20 0.44
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
F3 P13726 2/20 0.42
MAOB P27338 1/20 0.42
P4HB P07237 1/20 0.41
CALM1 P0DP23 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
XDH P47989 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7184593 1.00 MAPT (0.46) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7184822 0.92 PTPN1 (0.43) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7184827 0.92 PTPN1 (0.43) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7177690 0.90 PTPN1 (0.52) PTPN1ELANE
SCHEMBL7177693 0.90 PTPN1 (0.52) PTPN1ELANE
SCHEMBL7189568 0.90 MAOB (0.46) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7189570 0.90 MAOB (0.46) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7180283 0.89 PTPN1 (0.43) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7180278 0.89 PTPN1 (0.43) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7183322 0.88 ELANE (0.42) MAPTLMNAALDH1A1KDM4ESMN1; 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