SCHEMBL9530604

SCHEMBL9530604

CSC(=NC1CCCC2CCCCC21)Nc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
PAX8 Q06710 1/20 0.39
DGAT1 O75907 1/20 0.36
EPHX2 P34913 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ABCC9 O60706 4/20 0.35
KCNJ11 Q14654 4/20 0.35
DHODH Q02127 1/20 0.35
IDO1 P14902 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TRPA1 O75762 1/20 0.34
HTT P42858 2/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL10453855 0.81 EPHX1 (0.50) EPHX1PAX8DGAT1EPHX2SAE1
SCHEMBL10453589 0.81 EPHX1 (0.50) EPHX1PAX8DGAT1EPHX2SAE1
SCHEMBL9528819 0.81 EPHX1 (0.50) EPHX1PAX8DGAT1EPHX2SAE1
SCHEMBL9529344 0.81 EPHX1 (0.50) EPHX1PAX8DGAT1EPHX2SAE1
SCHEMBL9529415 0.77 EPHX2 (0.44) EPHX1PAX8EPHX2ABCC9KCNJ11
SCHEMBL9528719 0.73 PKM (0.39) EPHX1PAX8EPHX2ABCC9KCNJ11
SCHEMBL9527776 0.72 EPHX1 (0.47) EPHX1PAX8SAE1UBA2ABCC9
SCHEMBL10452542 0.72 EPHX1 (0.47) EPHX1PAX8SAE1UBA2ABCC9
SCHEMBL9529175 0.71 NAMPT (0.45) EPHX1PAX8ABCC9KCNJ11IDO1
SCHEMBL9529457 0.71 ABCC9 (0.46) SAE1UBA2ABCC9KCNJ11DHODH

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed