SCHEMBL22965867

SCHEMBL22965867

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 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
SCHEMBL24433346 0.85 TSHR (0.39) TSHRCTSSCTSKCA12CA14
SCHEMBL22340222 0.85 TSHR (0.41) TSHRCTSSCTSKCA12CA14
SCHEMBL15159952 0.73 TSHR (0.48) TSHRCA12CA14LMNAALDH1A1
SCHEMBL30449102 0.73
SCHEMBL24490937 0.70
SCHEMBL491197 0.69 TSHR (0.43) TSHRCA12CA14LMNAALDH1A1
SCHEMBL3225387 0.69 TSHR (0.43) TSHRCA12CA14LMNAALDH1A1
SCHEMBL24793772 0.69 HDAC1 (0.34) TSHRCTSSCTSKALDH1A1MEN1
SCHEMBL23201238 0.68 TSHR (0.41) TSHRCA12CA14CA7CA9
SCHEMBL15355937 0.68 TSHR (0.41) TSHRCA12CA14LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-20220396834-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-12-15 US disclosed
US-11236387-B2 Compositions and methods for nucleic acid sequencing Singular Genomics Systems, Inc. (US) 2022-02-01 US disclosed
US-20210040555-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2021-02-11 US disclosed