SCHEMBL335541

SCHEMBL335541

CC(=O)N[C@](c1ccco1)(C(C)C)[C@@H](O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.33
TP53 P04637 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL7769259 0.76 KMT2A (0.42) KMT2APOLBPTPN1RAB9ASMN1; SMN2
SCHEMBL335773 0.72 KCNN4 (0.37) SMN1; SMN2MAPTALDH1A1
SCHEMBL13626299 0.71 KMT2A (0.41) KMT2ARAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9812553 0.68 ALDH1A1 (0.38) KMT2APOLBRAB9ASMN1; SMN2MEN1
SCHEMBL11464164 0.67 KMT2A (0.44) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11463200 0.67 KMT2A (0.41) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL12674134 0.64 KDM4E (0.40) KMT2ARAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9812559 0.63 MAPT (0.38) KMT2APOLBPKML3MBTL1RAB9A
SCHEMBL11033469 0.63 MAPT (0.37) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL28968872 0.62 MAPT (0.42) KMT2APOLBPKMPTPN1PTPN7

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed