SCHEMBL7315586

SCHEMBL7315586

CCC=CCCc1c(O)c(C(=O)OC)cc(Cl)c1NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GALK1 P51570 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
NQO2 P16083 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RORC P51449 1/20 0.31
CDK1 P06493 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL7315583 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL9868836 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL7325722 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL7332624 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL5311964 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1KDM4EMAPK1
SCHEMBL28358079 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1KDM4EMAPK1
SCHEMBL7313619 0.74 ALDH1A1 (0.41) ALDH1A1TSHRGALK1MEN1LMNA
SCHEMBL7313612 0.74 ALDH1A1 (0.41) ALDH1A1TSHRGALK1MEN1LMNA
SCHEMBL19888383 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1KDM4EMAPK1
SCHEMBL28961190 0.72 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959485-A 5-HT3 ANTAGONISTS RORER PHARMACEUTICAL CORPORATION (US) 1990-09-25 US disclosed
US-4863921-A Dibenzofurancarboxamides and their pharmaceutical compositions and methods RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed