SCHEMBL8991536

SCHEMBL8991536

CC(=O)NC[C@H]1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.49
MAOB P27338 2/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
CALML3 P27482 1/20 0.49
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
ABCB1 P08183 1/20 0.44
F10 P00742 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7829917 0.87 MAOA (0.47) MAOAMAOBCALML3CTSVCTSL
SCHEMBL8991341 0.85 POLB (0.47) CTSVCTSLABCB1F10POLB
SCHEMBL8991499 0.82 POLB (0.47) ABCB1POLB
SCHEMBL8991532 0.82 ABCB1 (0.44) LMNACTSVCTSLABCB1POLB
SCHEMBL27541998 0.81 CTSV (0.42) LMNACTSVCTSLABCB1POLB
SCHEMBL8593381 0.80 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8593380 0.80 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9550297 0.80 GRM2 (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7811054 0.78 GRM2 (0.44) F10POLB
SCHEMBL9550300 0.77 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA

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-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed