SCHEMBL10701351

SCHEMBL10701351

CCC(O)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KCNH2 Q12809 4/20 0.46
CACNA1G O43497 3/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL10699555 0.87 KMT2A (0.75) KMT2ASMN1; SMN2KDM4EMEN1HTT
SCHEMBL15958914 0.85 KMT2A (0.49) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL773258 0.83 KMT2A (0.74) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL28001062 0.82 LMNA (0.53) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL10486057 0.81 KMT2A (0.51) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL29620677 0.81 MAPT (0.57) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL1496603 0.80 CYP1A2 (0.58) KMT2AMAPK1NPSR1MEN1KCNH2
Hydrochloric Acid SCHEMBL11137461 0.80 KMT2A (0.54) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL2835769 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL14282215 0.78 MAPK1 (0.64) SMN1; SMN2KDM4EMAPK1LMNA

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-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed