SCHEMBL7344668

SCHEMBL7344668

CCOC(=O)CCCCCOc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 6/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.48
TNF P01375 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7343229 0.95 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL10051650 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL10051646 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL1098462 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1KMT2ALMNA
SCHEMBL5713255 0.85 L3MBTL1 (0.70) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL9204550 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL7376464 0.83 MYC (0.52) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7338369 0.82 TNF (0.42) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL1339942 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL18155122 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed