SCHEMBL8846497

SCHEMBL8846497

C=CC(=O)NCNC(=O)Oc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.51
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.41
TGM2 P21980 2/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
Benzophenone SCHEMBL1200240 0.85 ALDH1A1 (0.59) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9452176 0.82 ALDH1A1 (0.66) ELANEALDH1A1LMNAHPGDGAA
SCHEMBL8677492 0.81 ALDH1A1 (0.65) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL18113443 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL23980744 0.78 ELANE (0.48) ELANEALDH1A1LMNAHPGDGAA
SCHEMBL25825991 0.78 THRB (0.48) ELANEALDH1A1LMNAHPGDGAA
SCHEMBL39494 0.76 ELANE (0.65) ELANEALDH1A1GAAMEN1KMT2A
SCHEMBL9778357 0.75 HSD17B10 (0.57) ALDH1A1GAAMAPTHTTNPC1
SCHEMBL10364058 0.75 PPARA (0.58) ALDH1A1LMNAHPGDMAPK1GAA
Bicarbonate SCHEMBL23064209 0.74 ELANE (0.44) ELANEALDH1A1LMNAHPGDGAA

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-0655465-B1 Process for removing volatile residues from polyacrylate melts BASF AG (DE) 1997-07-30 EP disclosed
EP-0655465-A1 Process for removing volatile residues from polyacrylate melts BASF Aktiengesellschaft (DE) 1995-05-31 EP disclosed
EP-0486897-B1 Unsaturated phenone derivatives and their use as adhesives BASF AG (DE) 1994-08-03 EP disclosed
EP-0486897-A1 Unsaturated phenone derivatives and their use as adhesives BASF Aktiengesellschaft (DE) 1992-05-27 EP disclosed