SCHEMBL30409585

SCHEMBL30409585

CCCc1ccccc1OC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PPARD Q03181 1/20 0.46
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL1839407 1.00 THRA (0.50) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL530112 0.90 THRA (0.58) THRATHRBLTB4RLTB4R2MEN1
SCHEMBL29859888 0.90 THRA (0.58) THRATHRBLTB4RLTB4R2MEN1
SCHEMBL1838225 0.88 THRA (0.65) THRATHRBMEN1NR1I2LMNA
SCHEMBL30409234 0.88 THRA (0.65) THRATHRBMEN1NR1I2LMNA
SCHEMBL30185875 0.87 L3MBTL1 (0.47) THRATHRBMEN1MAPTKMT2A
SCHEMBL1835772 0.87 L3MBTL1 (0.47) THRATHRBMEN1MAPTKMT2A
SCHEMBL1835734 0.87 THRA (0.68) THRATHRBLTB4RLTB4R2MEN1
SCHEMBL1837003 0.87 THRA (0.68) THRATHRBLTB4RLTB4R2MEN1
SCHEMBL1840956 0.87 THRA (0.68) THRATHRBLTB4RLTB4R2MEN1

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
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed