SCHEMBL8986478

SCHEMBL8986478

C[Al].Cc1ccc(OC(=O)O)cc1.Cc1ccc(OC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.49
ELANE P08246 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PTK2B Q14289 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
SRD5A2 P31213 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
BCHE P06276 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL577352 0.95 LMNA (0.74) LMNAALDH1A1KMT2AELANEL3MBTL1
Hydrochloric Acid SCHEMBL11846693 0.93 LMNA (0.71) LMNAALDH1A1KMT2AELANEL3MBTL1
SCHEMBL27449524 0.93 LMNA (0.71) LMNAALDH1A1KMT2AELANEL3MBTL1
SCHEMBL8848224 0.89 LMNA (0.65) LMNAALDH1A1KMT2AL3MBTL1GAA
Toluene SCHEMBL27660659 0.86 LMNA (0.56) LMNAALDH1A1ELANEL3MBTL1GAA
Cyclohexane SCHEMBL9502180 0.84 LMNA (0.59) LMNAALDH1A1KMT2AL3MBTL1GAA
SCHEMBL8986472 0.83 ELANE (0.54) LMNAALDH1A1ELANEL3MBTL1GAA
SCHEMBL465132 0.83 LMNA (0.52) LMNAALDH1A1KMT2AELANEGAA
SCHEMBL12289276 0.82 LMNA (0.57) LMNAALDH1A1KMT2AELANEL3MBTL1
SCHEMBL8991731 0.82 GAA (0.56) LMNAALDH1A1KMT2AELANERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510602-B1 Living polymerization method KANSAI PAINT CO LTD (JP) 1996-06-26 EP claimed