SCHEMBL7779003

SCHEMBL7779003

CC(C)[Si](O[C@H]1C(=O)N(C(=O)CCC2CCCC2)[C@H]1c1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 5/20 0.41
KLK7 P49862 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 2/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7779915 0.85 ELANE (0.46) ELANELMNAKMT2A
SCHEMBL7779017 0.85 ELANE (0.46) ELANESMN1; SMN2KMT2A
SCHEMBL7779935 0.83 FAAH (0.45) ELANE
SCHEMBL7777587 0.83 ELANE (0.47) ELANEALDH1A1LMNAKDM4E
SCHEMBL7778739 0.82 ELANE (0.48) ELANELMNASMN1; SMN2MAPTKMT2A
SCHEMBL7776777 0.81 ELANE (0.45) ELANELMNAKLK7SMN1; SMN2KMT2A
SCHEMBL7778734 0.81 ELANE (0.47) ELANEALDH1A1LMNAMAPK1KDM4E
SCHEMBL8781490 0.81 ELANE (0.44) ELANELMNAKMT2ACNR2
SCHEMBL7779931 0.81 ELANE (0.44) ELANELMNAKMT2ACNR2
SCHEMBL8746491 0.78 ELANE (0.66) ELANEALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809627-B1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2001-09-12 EP disclosed
US-6025507-A Borneol derivatives, methods of manufacturing them, and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
WO-1996025392-A1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed