SCHEMBL22955700

SCHEMBL22955700

CC(C)(C)OC(=O)CCOCCCOSI

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
STING1 Q86WV6 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
SCHEMBL23970489 0.97 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19661736 0.90 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24001248 0.90 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22954839 0.87 EPHX2 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20325417 0.84 EPHX2 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19599927 0.82 CES2 (0.34)
SCHEMBL20305542 0.81 STING1 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19599855 0.81 CES2 (0.37)
SCHEMBL21634211 0.80 STING1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20325479 0.80 TSHR (0.42)

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
WO-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 WO disclosed
WO-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed