SCHEMBL27328264

SCHEMBL27328264

CCC1CCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA7 P43166 1/20 0.59
CA14 Q9ULX7 1/20 0.59
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 6/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8263003 0.79 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27328188 0.78 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL4724826 0.77 CA12 (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL12228512 0.76 ALDH1A1 (0.40) TSHRL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL10265740 0.76 KDM4E (0.44) TSHRL3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL2430488 0.75 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL16508914 0.74 CA1 (0.42) TSHRL3MBTL1ALDH1A1POLB
SCHEMBL9921218 0.74 TP53 (0.50) TSHRSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL6521670 0.73 ALDH1A1 (0.65) TSHRSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL15870713 0.72 ALDH1A1 (0.40) TSHRL3MBTL1ALDH1A1MAPTLMNA

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-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed