SCHEMBL8746491

SCHEMBL8746491

CC(=O)N1C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.66
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
RIPK1 Q13546 2/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ACE P12821 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7776803 1.00 ELANE (0.66) ELANEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7779914 0.87 ELANE (0.52) ELANEKDM4ERIPK1
SCHEMBL7776782 0.87 ELANE (0.49) ELANEALDH1A1POLBRIPK1
SCHEMBL8746478 0.87 ELANE (0.49) ELANEALDH1A1POLBRIPK1
SCHEMBL7778739 0.86 ELANE (0.48) ELANEPOLBRIPK1LMNANPSR1
SCHEMBL7776769 0.85 ELANE (0.47) ELANEALDH1A1KDM4EHPGDPOLB
SCHEMBL7778734 0.85 ELANE (0.47) ELANEALDH1A1KDM4ERIPK1LMNA
SCHEMBL7772596 0.84 ELANE (0.46) ELANERIPK1
SCHEMBL7779915 0.84 ELANE (0.46) ELANERIPK1LMNA
SCHEMBL7779017 0.84 ELANE (0.46) ELANEPOLBESR1ESR2NPSR1

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-0758316-A1 BORNEOL DERIVATIVES AFFECTING TUBULIN POLYMERIZATION AND DEPOLYMERIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1997-02-19 EP disclosed