SCHEMBL10717166

SCHEMBL10717166

CCCCCC1=C(N)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALOX5 P09917 11/20 0.35
MPEG1 Q2M385 7/20 0.35
CDC25A P30304 6/20 0.35
CDC25B P30305 6/20 0.35
CDC25C P30307 5/20 0.35
GPR84 Q9NQS5 3/20 0.35
XIAP P98170 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 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
SCHEMBL7187409 0.78 SCD (0.40) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL114204 0.78 ALDH1A1 (0.41) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL7051769 0.76 ALDH1A1 (0.43) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL8426839 0.76 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4441878 0.76 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL8069818 0.76 ALOX5 (0.42) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL28264824 0.76 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL2947589 0.76 ALDH1A1 (0.43) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL15115447 0.74 ALOX5 (0.45) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL15115450 0.74 ALOX5 (0.45) ALDH1A1TDP1LMNAPOLBRECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663466-A Process for preparing substituted amino herbicides CHEVRON RESEARCH COMPANY (US) 1987-05-05 US disclosed
EP-0198054-A1 PROCESS FOR PREPARING SUBSTITUTED AMINO HERBICIDES CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1986-10-22 EP disclosed
WO-1986002643-A1 PROCESS FOR PREPARING SUBSTITUTED AMINO HERBICIDES CHEVRON RESEARCH COMPANY (US) 1986-05-09 WO disclosed