SCHEMBL4036552

SCHEMBL4036552

O=C1CC(OC(=O)OC(c2ccccc2)[N+](=O)[O-])C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
DDB1 Q16531 5/20 0.34
CRBN Q96SW2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 4/20 0.31
CREBBP Q92793 4/20 0.31
IDO1 P14902 1/20 0.31
GSR P00390 1/20 0.30

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
SCHEMBL6667157 0.80 HCAR2 (0.43) RAB9ADDB1CRBNALDH1A1BRD4
SCHEMBL4528310 0.80 RAB9A (0.39) RAB9ADDB1CRBNALDH1A1BRD4
SCHEMBL22323630 0.76 GSR (0.43) ALDH1A1GSR
SCHEMBL8418687 0.72 DDB1 (0.48) RAB9ADDB1CRBNSMN1; SMN2ALDH1A1
SCHEMBL975944 0.72 GAA (0.39) RAB9ADDB1CRBNSMN1; SMN2ALDH1A1
SCHEMBL2957623 0.72 GAA (0.39) RAB9ADDB1CRBNSMN1; SMN2ALDH1A1
SCHEMBL7385948 0.72 CYP19A1 (0.41) RAB9ADDB1CRBNBRD4CREBBP
SCHEMBL27847496 0.72 KMT2A (0.46) SMN1; SMN2ALDH1A1GSR
SCHEMBL4441195 0.70 GSR (0.39) ALDH1A1GSR
SCHEMBL7380755 0.70 KMT2A (0.43) RAB9ADDB1CRBNBRD4CREBBP

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-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP disclosed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed