SCHEMBL4644844

SCHEMBL4644844

C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.88
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.48
SRD5A2 P31213 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
AKR1C3 P42330 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL144013 0.94 ELANE (1.00) ELANEALDH1A1SRD5A2KMT2AMEN1
SCHEMBL15908309 0.94 ELANE (0.76) ELANELMNAALDH1A1SRD5A2KMT2A
Butanedione SCHEMBL28306363 0.91 ELANE (0.94) ELANELMNAALDH1A1SRD5A2KMT2A
SCHEMBL23064191 0.89 ELANE (0.91) ELANEALDH1A1SRD5A2KMT2AMEN1
SCHEMBL15064112 0.87 ELANE (0.86) ELANELMNAKMT2AMEN1ATM
SCHEMBL8671433 0.86 ELANE (0.85) ELANELMNAKMT2AMEN1POLB
SCHEMBL18541651 0.85 ELANE (0.73) ELANELMNAKMT2AMEN1POLB
SCHEMBL146180 0.85 LMNA (0.63) ELANELMNAALDH1A1KMT2AL3MBTL1
Benzoic Acid SCHEMBL22609156 0.84 ELANE (0.81) ELANELMNASRD5A2CES2CES1
SCHEMBL15071409 0.84 ELANE (0.81) ELANECES2CES1KMT2ANPC1

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-1226807-B1 DENTAL CURABLE COMPOSITION TOKUYAMA CORP (JP) 2008-08-13 EP disclosed
US-6933327-B2 Dental curable composition TOKUYAMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030036582-A1 Dental curable composition TOKUYAMA CORPORATION (JP) 2003-02-20 US disclosed
EP-1226807-A1 DENTAL CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2002-07-31 EP disclosed