SCHEMBL8368795

SCHEMBL8368795

COC(=O)CCCCCCCCOCCCCCCCCC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
DGKA P23743 1/20 0.45
RECQL P46063 1/20 0.45
EPHX2 P34913 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL16059320 1.00 TSHR (0.64) TSHRALDH1A1LMNAGAAKMT2A
SCHEMBL14424555 0.92 DGKA (0.59) TSHRALDH1A1LMNAKMT2ADGKA
SCHEMBL20210514 0.92 TSHR (0.54) TSHRALDH1A1LMNAGAADGKA
SCHEMBL5034229 0.92 TSHR (0.54) TSHRALDH1A1LMNAGAAKMT2A
SCHEMBL4430084 0.90 TSHR (0.70) TSHRALDH1A1LMNAGAAKMT2A
SCHEMBL26118353 0.90 TSHR (0.52) TSHRALDH1A1LMNAGAAKMT2A
SCHEMBL6424609 0.89 TSHR (0.56) TSHRALDH1A1LMNAGAAKMT2A
SCHEMBL20210561 0.89 TSHR (0.56) TSHRALDH1A1LMNAKMT2ADGKA
SCHEMBL8432325 0.89 TSHR (0.56) TSHRALDH1A1LMNADGKARECQL
SCHEMBL9741785 0.89 TSHR (0.56) TSHRALDH1A1LMNAGAAKMT2A

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
WO-1999052922-A1 ANTIMICROBIAL βGalNAc(1→4)βGal DERIVATIVES AND METHODS OF USE HELIX BIOPHARMA CORP. (CA) 1999-10-21 WO disclosed