SCHEMBL9521629

SCHEMBL9521629

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CFD P00746 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA5A P35218 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALPG P10696 1/20 0.41

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
SCHEMBL17312333 0.89 GAA (0.47) ALDH1A1GAASMN1; SMN2CFDLMNA
SCHEMBL4034078 0.89 GAA (0.47) ALDH1A1GAASMN1; SMN2CFDLMNA
SCHEMBL10629329 0.85 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2CFDLMNA
SCHEMBL2976612 0.85 GAA (0.60) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL2976618 0.85 GAA (0.60) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL12894177 0.85 CYP4F2 (0.55) ALDH1A1GAASMN1; SMN2CFDLMNA
SCHEMBL3608630 0.84 ALOX15 (0.48) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL6990630 0.83 LMNA (0.58) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL7984258 0.82 GAA (0.45) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL11680122 0.82 MEN1 (0.51) ALDH1A1GAASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
EP-2968667-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP Assets B.V. (NL) 2016-01-20 EP disclosed
WO-2014158288-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP ASSETS B.V. (NL) 2014-10-02 WO disclosed
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed