SCHEMBL7367394

SCHEMBL7367394

CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
RAB9A P51151 2/20 0.49
AR P10275 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL13687190 0.87 LMNA (0.62) ALDH1A1LMNAMGLLNPC1
SCHEMBL18045538 0.86 CRHBP (0.56) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL28371306 0.84 PTGDR2 (0.46) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL29280749 0.84 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL6046672 0.82 RAB9A (0.54) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL991783 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL28696202 0.82 LMNA (0.53) ALDH1A1LMNANPC1
SCHEMBL28696201 0.82 LMNA (0.53) ALDH1A1LMNANPC1
SCHEMBL4973561 0.81 KCNH2 (0.48) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL29280745 0.81 ALDH1A1 (0.62) CRHBPCRHR2ALDH1A1SMN1; SMN2RAB9A

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
US-5952321-A Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0666846-A4 1995-09-20 EP disclosed
EP-0666846-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010143-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed