SCHEMBL29884109

SCHEMBL29884109

CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.49
▸ HDAC4 P56524 2/20 0.48
▸ PLG P00747 1/20 0.47
▸ NTSR1 P30989 4/20 0.46
▸ GRB2 P62993 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALB P02768 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ OXTR P30559 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ CIB1 Q99828 1/20 0.44

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
SCHEMBL29773696 1.00 KRAS (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29773704 1.00 KRAS (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29390495 1.00 KRAS (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29773756 0.97 PLG (0.51) KRASHDAC4PLGNTSR1HDAC3
SCHEMBL29884584 0.94 KRAS (0.47) KRASHDAC4PLGNTSR1GRB2
SCHEMBL30928172 0.94 PLG (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29740322 0.94 PLG (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL21303808 0.94 PLG (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29884013 0.94 PLG (0.49) KRASHDAC4PLGNTSR1GRB2
SCHEMBL29773718 0.94 PLG (0.49) KRASHDAC4PLGNTSR1GRB2

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
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 — — US disclosed
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