SCHEMBL335542

SCHEMBL335542

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 2/20 0.46
PTPN1 P18031 1/20 0.46
PTPN7 P35236 1/20 0.46
BLM P54132 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALOX5 P09917 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
SCHEMBL4115046 0.80 L3MBTL1 (0.53) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL336018 0.75 KDM4E (0.50) KMT2AALDH1A1KDM4ENPC1HTT
SCHEMBL335774 0.75 GAA (0.47) POLBKMT2AALDH1A1KDM4EHTT
SCHEMBL14210968 0.75 ALDH1A1 (0.47) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL15291349 0.74 KMT2A (0.62) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL2348328 0.73 CTSS (0.47) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL335306 0.71 CNR2 (0.53) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL15113192 0.69 KMT2A (0.58) POLBKMT2AALDH1A1HPGDLMNA
SCHEMBL2480787 0.67 KMT2A (0.61) POLBKMT2AL3MBTL1PKMPTPN1
SCHEMBL5158147 0.66 KMT2A (0.60) POLBKMT2AL3MBTL1PKMPTPN1

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