SCHEMBL20144614

SCHEMBL20144614

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PTGER2 P43116 2/20 0.33
PTGER3 P43115 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PRKCA P17252 8/20 0.32
HDAC8 Q9BY41 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR4 Q13639 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21648645 0.85 NAAA (0.44) PRKCAKMT2ASMN1; SMN2
SCHEMBL24770415 0.85 NAAA (0.44) PRKCAKMT2ASMN1; SMN2
SCHEMBL24040348 0.85 KMT2A (0.40) EPHX2HDAC8KMT2A
SCHEMBL22640969 0.83 ALDH1A1 (0.42) EPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22272181 0.82 HDAC3 (0.35) HDAC8KMT2ASMN1; SMN2
SCHEMBL18768989 0.82 KMT2A (0.33) KMT2ASMN1; SMN2
SCHEMBL23919081 0.82
SCHEMBL18916449 0.81 EPHX1 (0.40) DDB1CRBNKMT2AALDH1A1
SCHEMBL22192126 0.81
SCHEMBL18867375 0.81 KMT2A (0.32) KMT2ASMN1; SMN2

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
EP-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed