SCHEMBL7182854

SCHEMBL7182854

CCOc1c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cc(C(C)C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
LMNA P02545 4/20 0.41
MAOB P27338 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
RXRA P19793 4/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.40
RARG P13631 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAOA P21397 1/20 0.39
DPP4 P27487 2/20 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
SCHEMBL7179811 0.93 RXRA (0.43) LMNAMAOBMAPTSMN1; SMN2ATM
SCHEMBL7184603 0.89 ABCG2 (0.44) LMNAMAPTKDM4E
SCHEMBL7183816 0.88 KDM4E (0.38) LMNAMAPTKDM4E
SCHEMBL7180201 0.83 LMNA (0.49) LMNAMAOBMAPTSMN1; SMN2ATM
SCHEMBL7185139 0.79 LMNA (0.47) PTGS1LMNAMAOBMAPTSMN1; SMN2
SCHEMBL7177412 0.78 DPP4 (0.46) LMNAMAPTSMN1; SMN2ATMCYP1A1
SCHEMBL7181126 0.78 MAOB (0.46) PTGS1LMNAMAOBMAPTSMN1; SMN2
SCHEMBL9206831 0.77 MAPT (0.43) LMNAMAOBMAPTSMN1; SMN2ATM
SCHEMBL7179060 0.75 CYP1A1 (0.44) PTGS1LMNAMAOBMAPTSMN1; SMN2
SCHEMBL7180028 0.75 MAPT (0.43) PTGS1LMNAMAOBMAPTSMN1; 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 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