SCHEMBL9028107

SCHEMBL9028107

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C=O)cc3)cn2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.44
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ CALML3 P27482 1/20 0.43
▸ SDHA P31040 1/20 0.43
▸ CETP P11597 4/20 0.42
▸ F10 P00742 3/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ GRM5 P41594 2/20 0.39

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
Sulfurous Acid SCHEMBL8871949 0.96 ABCB11 (0.42) ABCB11MAOAMAOBLMNAPTGS1
Sulfurous Acid SCHEMBL8696828 0.96 ABCB11 (0.42) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL9028657 0.89 MAOA (0.43) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL9028665 0.89 MAOA (0.43) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL8871678 0.89 MAOA (0.46) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL8703285 0.89 MAOA (0.46) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL5707298 0.88 ABCB11 (0.45) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL5707296 0.88 ABCB11 (0.45) ABCB11MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1176889 0.87 ABCB11 (0.45) ABCB11MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1176888 0.87 ABCB11 (0.45) ABCB11MAOAMAOBLMNAPTGS1

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-0694543-A1 6-membered N-heteroaryloxazolidinones BAYER AG (DE) 1996-01-31 — — EP disclosed
Send feedback