SCHEMBL20629972

SCHEMBL20629972

CC(C)(N)CCOC(C)(C)CCSSCCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 3/20 0.32
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL22059589 0.87 TSHR (0.36) TSHRFOLH1ALDH1A1MEN1CYP1A2
SCHEMBL22060197 0.81 TSHR (0.43) TSHRFOLH1ALDH1A1MEN1KMT2A
SCHEMBL4967281 0.81 ALDH1A1 (0.41) TSHRALDH1A1S1PR1S1PR3MEN1
SCHEMBL22060217 0.78 FOLH1 (0.41) TSHRFOLH1ALDH1A1
SCHEMBL20630604 0.76 FOLH1 (0.39) TSHRFOLH1
SCHEMBL20630504 0.74 FOLH1 (0.37) TSHRFOLH1
SCHEMBL14279904 0.72 HMGCR (0.38) TSHRALDH1A1S1PR1S1PR3MEN1
SCHEMBL2227903 0.69 LMNA (0.48) TSHRALDH1A1MEN1CYP1A2THRB
SCHEMBL225702 0.69 TSHR (0.71) TSHRFOLH1ALDH1A1CYP1A2THRB
SCHEMBL94565 0.69 TSHR (0.71) TSHRFOLH1ALDH1A1CYP1A2THRB

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-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed