SCHEMBL7729359

SCHEMBL7729359

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 7/20 0.46
NPC1 O15118 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL7729361 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RECQLMEN1KMT2AMCL1
SCHEMBL7728020 0.86 MEN1 (0.62) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7728781 0.86 MEN1 (0.62) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7728024 0.86 MEN1 (0.62) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7727705 0.86 NPC1 (0.46) SMN1; SMN2RECQLMEN1KMT2AMCL1
SCHEMBL7727701 0.86 NPC1 (0.46) SMN1; SMN2RECQLMEN1KMT2AMCL1
SCHEMBL7728565 0.83 MEN1 (0.51) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7728568 0.83 MEN1 (0.51) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7722273 0.79 NAMPT (0.47) SMN1; SMN2RECQLMEN1KMT2ANPC1
SCHEMBL7722271 0.79 NAMPT (0.47) SMN1; SMN2RECQLMEN1KMT2ANPC1

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-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
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed