SCHEMBL17424935

SCHEMBL17424935

C=C(Cl)c1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.36
HCAR1 Q9BXC0 1/20 0.34
HPGD P15428 1/20 0.34
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CNR2 P34972 2/20 0.31
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL11237934 0.78 ALDH1A1 (0.48) ALDH1A1HPGDACHELMNACES2
SCHEMBL5568321 0.77 TPMT (0.50) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL27989860 0.75 PARP1 (0.52) HPGDACHEMEN1KMT2A
SCHEMBL716226 0.74 TPMT (0.48) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL22991513 0.74 CA1 (0.48) ALDH1A1ACHELMNAMEN1CYP1A2
SCHEMBL22784010 0.74 TPMT (0.38) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL347092 0.72 TPMT (0.59) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL10419257 0.72 TPMT (0.46) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL9419478 0.72 TPMT (0.46) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL9071444 0.72 PRSS1 (0.56) TPMTPRSS1PRSS2C1SPRSS3

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-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed