SCHEMBL8991532

SCHEMBL8991532

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
POLB P06746 1/20 0.42
CTSV O60911 4/20 0.42
CTSL P07711 4/20 0.42
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL8991536 0.82 MAOA (0.49) ABCB1POLBCTSVCTSLLMNA
SCHEMBL7829917 0.81 MAOA (0.47) ABCB1POLBCTSVCTSL
SCHEMBL8991341 0.81 POLB (0.47) ABCB1POLBCTSVCTSL
SCHEMBL8991499 0.77 POLB (0.47) ABCB1POLB
SCHEMBL7811054 0.73 GRM2 (0.44) POLBMAPT
SCHEMBL701776 0.73 SMN1; SMN2 (0.37) S1PR5SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2109045 0.72 RORC (0.35) S1PR5SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2109811 0.71 HTR6 (0.33) S1PR5
SCHEMBL4802423 0.70 KMT2A (0.56) ABCB1POLBCTSVCTSLS1PR1
SCHEMBL4802434 0.70 KMT2A (0.56) ABCB1POLBCTSVCTSLS1PR1

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