SCHEMBL30945792

SCHEMBL30945792

CCCCCCCCCCCCc1ccccc1OC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.68
THRB P10828 1/20 0.68
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.55
LIPG Q9Y5X9 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
BID P55957 3/20 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
SCHEMBL30945817 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL30945772 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL30945791 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL1954643 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL1837003 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL30945776 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL1835734 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL30945830 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL1840956 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG
SCHEMBL30408848 1.00 THRA (0.68) THRATHRBPPARAPPARGLIPG

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
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed