SCHEMBL20144577

SCHEMBL20144577

CNCCCOCC(=O)NCCC(C)OCCNC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KISS1R Q969F8 1/20 0.33
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18404646 0.80 KMT2A (0.42) ALDH1A1LMNARECQLKMT2AEPHX2
SCHEMBL27310599 0.79 MEN1 (0.38) KMT2AEPHX2
SCHEMBL24040378 0.78 LMNA (0.31) LMNAKMT2A
SCHEMBL20805391 0.74 ALDH1A1 (0.42) TSHRALDH1A1LMNARECQLKMT2A
SCHEMBL20812466 0.72 ALDH1A1 (0.51) TSHRALDH1A1RECQLCASP1CASP7
SCHEMBL21152766 0.72 HTR2A (0.32)
SCHEMBL7777350 0.70 NAAA (0.37) TSHRALDH1A1RECQLCASP1CASP7
SCHEMBL23945414 0.70 HPGD (0.40) TSHRALDH1A1LMNARECQLKMT2A
SCHEMBL7777344 0.70 TSHR (0.36) TSHRALDH1A1RECQLKMT2ACASP1
SCHEMBL24514752 0.70 MTNR1A (0.39) TSHRALDH1A1KISS1RKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed