SCHEMBL7779017

SCHEMBL7779017

CCCC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.34
FAAH O00519 4/20 0.33
POLB P06746 1/20 0.33
CES1 P23141 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ATM Q13315 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
SCHEMBL7779915 0.91 ELANE (0.46) ELANEKMT2AMEN1CYP2C19TSHR
SCHEMBL7778739 0.90 ELANE (0.48) ELANEKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL8396368 0.89 ELANE (0.37) ELANEFAAH
SCHEMBL7779935 0.88 FAAH (0.45) ELANEFAAHPOLB
SCHEMBL7777587 0.88 ELANE (0.47) ELANETSHRFAAH
SCHEMBL7778734 0.87 ELANE (0.47) ELANEKMT2AMEN1CYP2C9CYP2C19
SCHEMBL8393391 0.85 ADORA2B (0.35) ELANETSHRPOLB
SCHEMBL7776777 0.85 ELANE (0.45) ELANEKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL7779003 0.85 ELANE (0.41) ELANEKMT2ASMN1; SMN2
SCHEMBL7776769 0.84 ELANE (0.47) ELANEKMT2AMEN1SMN1; SMN2NPSR1

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