SCHEMBL23211686

SCHEMBL23211686

CCCCCCCCCCCCN[C@@H](C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
ZDHHC7 Q9NXF8 1/20 0.50
BIRC2 Q13490 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
FAAH O00519 2/20 0.43
ABCB1 P08183 1/20 0.43
FURIN P09958 1/20 0.43
TSHR P16473 1/20 0.41
CASP2 P42575 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11654823 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL28480851 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL7366969 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL30446888 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL28357307 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL29268681 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL6702851 1.00 EPHX1 (0.50) EPHX1ZDHHC7BIRC2CA2CA1
Hydrochloric Acid SCHEMBL10958870 0.98 ZDHHC7 (0.49) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL4081144 0.98 ZDHHC7 (0.47) EPHX1ZDHHC7BIRC2CA2CA1
SCHEMBL28756830 0.98 ZDHHC7 (0.47) EPHX1ZDHHC7BIRC2CA2CA1

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-3812074-A1 A COMPOUND AND A METHOD OF USING THE COMPOUND Rolls-Royce plc (GB) 2021-04-28 EP claimed
US-20210107078-A1 COMPOUND AND A METHOD OF USING THE COMPOUND ROLLS-ROYCE PLC (GB) 2021-04-15 US claimed
EP-3812074-A1 A COMPOUND AND A METHOD OF USING THE COMPOUND Rolls-Royce plc (GB) 2021-04-28 EP disclosed
US-20210107078-A1 COMPOUND AND A METHOD OF USING THE COMPOUND ROLLS-ROYCE PLC (GB) 2021-04-15 US disclosed