SCHEMBL10488709

SCHEMBL10488709

NOC(=O)CCCCC1(CC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35

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
SCHEMBL3399492 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1EPHX2CTSL
SCHEMBL395429 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1CTSLCTSB
SCHEMBL14148977 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CA12CA1
SCHEMBL28071705 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2CA12
SCHEMBL10488942 0.79 SLC15A1 (0.43) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL14108563 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CA12CA1
SCHEMBL394093 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CTSLCTSB
SCHEMBL8208378 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX2CA12
SCHEMBL2972573 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AKDM4E
SCHEMBL11781136 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2CA12

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-4810778-A OLIGOPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed