SCHEMBL30037802

SCHEMBL30037802

O=C1CCC(=O)C(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL26444852 0.82 MCL1 (0.32) MCL1
SCHEMBL15659971 0.79 TLR4 (0.34)
SCHEMBL4611943 0.79
SCHEMBL29980746 0.78 GRM8 (0.34) GRM8GRM6GRM2GRM3ALDH1A1
SCHEMBL4836260 0.77
SCHEMBL1415539 0.76 GRM8 (0.39) GRM8GRM6GRM2GRM3POLB
SCHEMBL1238701 0.74 BRD4 (0.42) ALDH1A1
SCHEMBL27704741 0.74 GRM8 (0.38) GRM8GRM6GRM2GRM3POLB
Cyclopropane SCHEMBL7196796 0.74 GRM8 (0.38) MCL1GRM8GRM6GRM2GRM3
SCHEMBL1069345 0.72

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-108025071-B Dual variable domain immunoconjugates and uses thereof 斯克利普斯研究院 2022-11-01 CN disclosed