SCHEMBL29187166

SCHEMBL29187166

CC(C)C(=O)Oc1ccccc1.CC(C)C(=O)Oc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.72
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.46
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL514357 1.00 ELANE (0.72) ELANEATML3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL25243908 0.98 ELANE (0.70) ELANEATML3MBTL1ALDH1A1GAA
SCHEMBL30894420 0.98 ELANE (0.70) ELANEATML3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL27392624 0.96 ELANE (0.68) ELANEATML3MBTL1ALDH1A1GAA
SCHEMBL27702601 0.94 ELANE (0.66) ELANEATML3MBTL1ALDH1A1GAA
Acetaldehyde SCHEMBL21059045 0.92 ELANE (0.64) ELANEATML3MBTL1ALDH1A1GAA
SCHEMBL6032614 0.92 ELANE (0.69) ELANEATML3MBTL1ALDH1A1HPGD
SCHEMBL21795326 0.88 ELANE (0.79) ELANEATML3MBTL1ALDH1A1LMNA
SCHEMBL5317551 0.88 ELANE (0.69) ELANEGAALMNAKMT2AMEN1
SCHEMBL2459478 0.86 ELANE (0.56) ELANEATML3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117802795-A Heat-resistant anti-yellowing polyvinyl chloride artificial leather and preparation method thereof 北京汽车集团越野车有限公司 2024-04-02 CN claimed
CN-117802795-A Heat-resistant anti-yellowing polyvinyl chloride artificial leather and preparation method thereof 北京汽车集团越野车有限公司 2024-04-02 CN disclosed