SCHEMBL22844647

SCHEMBL22844647

CC(=O)OCC1=C(C(=O)OCC(C)C)N2C(=O)[C@H]([C@@H](C)O)C2S1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL25607895 1.00 ELANE (0.47) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10982239 0.90 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10983853 0.89 ELANE (0.47) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10981631 0.89 ELANE (0.47) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL11012877 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL22844651 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL29490922 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10670606 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL11012879 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10985736 0.86 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076197-A1 CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2021-04-22 WO disclosed
WO-2020263975-A1 BETA-LACTAM-CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 WO disclosed