SCHEMBL9033014

SCHEMBL9033014

CCOC(=O)C(NC(=O)OCc1ccccc1)C(O)c1ccc(CN2CCc3ccccc3C2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 2/20 0.42
TNF P01375 2/20 0.42
RAB9A P51151 2/20 0.42
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
CAPN1 P07384 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9032737 0.88 CTSL (0.44) RAB9ALMNACAPN1
SCHEMBL9031818 0.87 CTSL (0.44) RAB9ACAPN1
SCHEMBL9034601 0.85 CTSL (0.40) MEN1KMT2ARAB9ALMNACAPN1
SCHEMBL9033094 0.79 ITGB3 (0.45) NPC1RAB9AKDM4EALDH1A1
SCHEMBL9033818 0.78 CTSL (0.45) MAPTLMNACAPN1
SCHEMBL9033091 0.77 CTSL (0.46) MAPTLMNACAPN1
SCHEMBL8697846 0.74 OPRK1 (0.44) LMNATSHR
SCHEMBL9033877 0.74 SMN1; SMN2 (0.44) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL9034272 0.74 ATM (0.45) LMNAALDH1A1TSHR
SCHEMBL9034257 0.74 SMN1; SMN2 (0.41) POLBMEN1KMT2AMAPTLMNA

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed