SCHEMBL16167786

SCHEMBL16167786

CC(=O)CCC(=O)NCCCOCCOCCCNC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRMT1 Q99873 1/20 0.43
▸ FAAH O00519 3/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLP1R P43220 3/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL16167810 1.00 ADRA1A (0.49) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL16167785 1.00 ADRA1A (0.49) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL16167791 1.00 ADRA1A (0.49) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL16167792 1.00 ADRA1A (0.49) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL14118080 0.97 ADRA1A (0.49) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL15196467 0.94 TSHR (0.47) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL17929791 0.94 TSHR (0.47) ADRA1AEPHX2TSHRKDM4ESMN1; SMN2
SCHEMBL14118030 0.92 ADRA1A (0.46) ADRA1AEPHX2TSHRKDM4EPRMT1
SCHEMBL16167809 0.92 ADRA1A (0.46) ADRA1AEPHX2TSHRKDM4EPRMT1
SCHEMBL16167787 0.91 ADRA1A (0.46) ADRA1AEPHX2TSHRKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859493-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2014-10-14 — — US disclosed
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