SCHEMBL30479401

SCHEMBL30479401

O=CCCC(=O)OC(c1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.44
▸ FAAH O00519 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KCNA5 P22460 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CFTR P13569 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GOPC Q9HD26 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL30479397 0.92 TBXAS1 (0.45) TBXAS1FAAHSMN1; SMN2KCNA5LMNA
SCHEMBL30479389 0.91 TBXAS1 (0.47) TBXAS1FAAH
SCHEMBL28063974 0.79 SMN1; SMN2 (0.50) TBXAS1FAAHSMN1; SMN2KCNA5LMNA
SCHEMBL27687109 0.76 SMN1; SMN2 (0.50) TBXAS1FAAHSMN1; SMN2KCNA5LMNA
SCHEMBL28178916 0.76 SMN1; SMN2 (0.50) TBXAS1FAAHSMN1; SMN2KCNA5LMNA
SCHEMBL32684616 0.74 CRHBP (0.56) SMN1; SMN2LMNACRHBPCRHR2HPGD
SCHEMBL27748512 0.72 CFTR (0.52) TBXAS1FAAHSMN1; SMN2KCNA5CFTR
SCHEMBL28040583 0.72 CRHBP (0.50) SMN1; SMN2KCNA5LMNACRHBPCRHR2
SCHEMBL8775911 0.71 TBXAS1 (0.56) TBXAS1SMN1; SMN2KCNA5LMNACFTR
SCHEMBL27755693 0.71 TBXAS1 (0.47) TBXAS1SMN1; SMN2LMNA

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
CN-116368146-A Novel ligands for asialoglycoprotein receptors 赛诺菲 2023-06-30 — — CN disclosed
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