SCHEMBL8433209

SCHEMBL8433209

CCCc1nc(CSc2ccc(C(C)C)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.54
HPGD P15428 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7502689 0.89 EDNRA (0.54) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL8434241 0.87 EDNRA (0.53) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL8431142 0.82 EDNRA (0.61) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL8431737 0.80 EDNRA (0.48) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7502687 0.80 EDNRA (0.42) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7504056 0.80 EDNRA (0.57) EDNRAAGTR1AGTR2
SCHEMBL7503051 0.79 EDNRA (0.45) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL8434286 0.78 EDNRA (0.64) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7498348 0.78 EDNRA (0.63) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6159406 0.78 EDNRA (0.63) EDNRAHPGDALDH1A1SMN1; SMN2KDM4E

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
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed