SCHEMBL7910337

SCHEMBL7910337

CCOC(=O)c1cc2c(nc1COc1ccc(C(=O)O)cc1)CCCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
RXRB P28702 3/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.47
PPARG P37231 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RXRA P19793 2/20 0.45
RXRG P48443 1/20 0.45
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.40
PLA2G4B P0C869 1/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL7913287 0.87 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7912981 0.84 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7916727 0.80 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7910346 0.78 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7913027 0.78 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL8127248 0.77 RAB9A (0.41) KDM4ERXRBALDH1A1SMN1; SMN2NPC1
SCHEMBL2899414 0.76 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7910307 0.76 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7903030 0.75 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL2899565 0.75 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG

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-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed