SCHEMBL4846630

SCHEMBL4846630

COc1ccc(/C=C/C(=O)c2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SYK P43405 1/20 0.42
TNFRSF1A P19438 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A9 P48067 2/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4852466 1.00 MAPT (0.42) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4854730 0.95 SYK (0.43) SYKTNFRSF1AALDH1A1KDM4ESLC6A9
SCHEMBL4853780 0.95 SYK (0.43) SYKTNFRSF1AALDH1A1KDM4ESLC6A9
SCHEMBL4846635 0.90 LMNA (0.48) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4854827 0.90 SLC6A9 (0.46) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4854487 0.90 SLC6A9 (0.46) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4857394 0.90 SLC6A9 (0.46) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4854864 0.90 SLC6A9 (0.46) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4851372 0.90 ABCG2 (0.48) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4855876 0.90 ABCG2 (0.48) MAPTLMNAGAAATMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed