SCHEMBL24433346

SCHEMBL24433346

CCC(CC)C(C)(C#N)CCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22965867 0.85 TSHR (0.38) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL22340222 0.83 TSHR (0.41) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL24433234 0.81 ALDH1A1 (0.36) TSHRALDH1A1KMT2AMEN1CTSS
SCHEMBL15159952 0.74 TSHR (0.48) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL24490937 0.71
SCHEMBL3225387 0.70 TSHR (0.43) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL491197 0.70 TSHR (0.43) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL15355937 0.69 TSHR (0.41) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL18155288 0.68 TSHR (0.52) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL6762562 0.68 TSHR (0.55) TSHRL3MBTL1LMNAALDH1A1KMT2A

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-20220154271-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2022-05-19 US disclosed