SCHEMBL5452892

SCHEMBL5452892

CCCCCCCCOc1ccc(N(C)C(N)=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTGES O14684 1/20 0.52
SLC2A1 P11166 2/20 0.49
TSHR P16473 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.48
LTA4H P09960 1/20 0.47

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
SCHEMBL16706016 0.79 NR5A1 (0.61) NR5A1TP53LMNANPC1GAA
SCHEMBL12589626 0.79 PTGES (0.62) NR5A1TP53LMNANPC1GAA
SCHEMBL11000930 0.79 PTGES (0.62) NR5A1TP53LMNANPC1GAA
SCHEMBL11001964 0.79 PTGES (0.62) NR5A1TP53LMNANPC1GAA
SCHEMBL533717 0.79 NR5A1 (0.61) NR5A1TP53LMNANPC1GAA
SCHEMBL23302979 0.79 PTGES (0.62) NR5A1TP53LMNANPC1GAA
SCHEMBL1263398 0.79 PTGES (0.62) NR5A1TP53LMNANPC1GAA
SCHEMBL25887676 0.78 THRA (0.57) NR5A1TP53TSHRTHRATHRB
SCHEMBL7899214 0.78 TP53 (0.67) NR5A1TP53LMNANPC1GAA
SCHEMBL10746554 0.78 TP53 (0.67) NR5A1TP53LMNANPC1GAA

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed