SCHEMBL7778743

SCHEMBL7778743

CCOC(C)O[C@H]1C(=O)N(C(=O)C=S)[C@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
RIPK1 Q13546 2/20 0.30
MDM2 Q00987 1/20 0.30
ALOX12 P18054 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL28495663 0.88 ELANE (0.49) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7729786 0.86 ELANE (0.47) ELANETSHRMEN1KMT2AKDM4E
SCHEMBL7772609 0.85 ELANE (0.47) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1134975 0.85 ELANE (0.46) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5887440 0.85 ELANE (0.46) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5887434 0.85 ELANE (0.46) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7732985 0.85 ELANE (0.46) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5964086 0.85 ELANE (0.49) ELANETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5963742 0.83 ELANE (0.44) ELANETSHRSMN1; SMN2KDM4EGAA
SCHEMBL5963529 0.83 ELANE (0.44) ELANETSHRMEN1KMT2AKDM4E

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