SCHEMBL29066112

SCHEMBL29066112

CO[C@H](C)C(=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL29066116 1.00 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL1928703 0.86 SMN1; SMN2 (0.36) ALDH1A1TSHRSMN1; SMN2CA14
SCHEMBL29048961 0.86 SMN1; SMN2 (0.36) ALDH1A1TSHRSMN1; SMN2CA14
SCHEMBL7249667 0.86 SMN1; SMN2 (0.36) ALDH1A1TSHRSMN1; SMN2CA14
SCHEMBL12972068 0.77 TSHR (0.33) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1928704 0.75 NAAA (0.35) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13647347 0.75 TSHR (0.46) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL35974 0.75
SCHEMBL16377936 0.75
SCHEMBL7580898 0.75 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2CA14

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
CN-116535424-A Tri-fused ring compounds as MALT1 inhibitors, pharmaceutical compositions and uses thereof 武汉誉祥医药科技有限公司 2023-08-04 CN disclosed