SCHEMBL4642437

SCHEMBL4642437

[CH2]CC(=O)Oc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
VCAM1 P19320 1/20 0.53
MAPT P10636 3/20 0.50
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46
PDK1 Q15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL4646554 0.90 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4645128 0.88 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4642208 0.88 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4644272 0.87 ALDH1A1 (0.55) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4644494 0.86 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4641775 0.85 ALDH1A1 (0.58) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4641424 0.85 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4642080 0.84 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4641784 0.83 ALDH1A1 (0.60) ALDH1A1HPGDNPSR1VCAM1MAPT
SCHEMBL4642166 0.83 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1VCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed