SCHEMBL13683306

SCHEMBL13683306

Cc1cc(O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.50
▸ FFAR1 O14842 1/20 0.50
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ PGR P06401 2/20 0.48
▸ NR1H4 Q96RI1 1/20 0.46
▸ STK39 Q9UEW8 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL12902001 0.90 PNLIP (0.53) PNLIPFFAR1CRHBPCRHR2PGR
SCHEMBL27676843 0.73 MEN1 (0.74) PNLIPFFAR1CRHBPCRHR2STK39
SCHEMBL13744380 0.73 DHODH (0.55) PNLIPCRHBPCRHR2PGRNR1H4
SCHEMBL3472646 0.73 BCL2L1 (0.57) PNLIPPGRNR1H4STK39
SCHEMBL9843543 0.71 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNAMEN1HTT
SCHEMBL4350025 0.70 MEN1 (0.59) PNLIPFFAR1SIRT6MAPK1SMN1; SMN2
SCHEMBL8306391 0.70 FFAR1 (0.65) FFAR1CRHBPCRHR2PGRNR1H4
SCHEMBL31315570 0.70 FFAR1 (0.80) FFAR1CRHBPCRHR2PGRSMN1; SMN2
SCHEMBL27676573 0.70 FFAR1 (0.80) FFAR1CRHBPCRHR2PGRSMN1; SMN2
SCHEMBL6691053 0.69 MEN1 (0.61) PNLIPFFAR1MAPK1SMN1; SMN2MAPT

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
US-7592315-B2 Peptide viral entry inhibitors SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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