SCHEMBL8501792

SCHEMBL8501792

CCCC/C(C(=O)OCC)=C(/Nc1cccc(SC)c1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8410470 1.00 MEN1 (0.51) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL8410078 0.83 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8410081 0.83 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8410518 0.82 RAB9A (0.55) KMT2ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL8410515 0.82 RAB9A (0.55) KMT2ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL7836111 0.81 MEN1 (0.56) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL11757612 0.79 MEN1 (0.62) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL8410472 0.78 CETP (0.53) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL21695750 0.76 MEN1 (0.66) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL8413634 0.74 RAB9A (0.55) MEN1KMT2ALMNASMN1; SMN2NPC1

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-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed