SCHEMBL7728024

SCHEMBL7728024

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
NPC1 O15118 1/20 0.50
HDAC8 Q9BY41 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
HTRA1 Q92743 1/20 0.46
PABPC1 P11940 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL7728020 1.00 MEN1 (0.62) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7728781 1.00 MEN1 (0.62) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL1375463 0.91 CYP3A4 (0.57) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL1375465 0.91 CYP3A4 (0.57) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7728565 0.91 MEN1 (0.51) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7728568 0.91 MEN1 (0.51) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7729359 0.86 SMN1; SMN2 (0.49) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7729361 0.86 SMN1; SMN2 (0.49) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL13325458 0.86 POLB (0.61) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL7727705 0.85 NPC1 (0.46) MEN1KMT2APOLBCYP2C19CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed