SCHEMBL29886188

SCHEMBL29886188

CCCCCCCCCCC[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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.49
▸ PLG P00747 1/20 0.47
▸ HDAC4 P56524 4/20 0.46
▸ GRB2 P62993 1/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ OXTR P30559 1/20 0.44
▸ EHD1 Q9H4M9 3/20 0.43
▸ NTSR1 P30989 4/20 0.43
▸ ALB P02768 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ ELANE P08246 1/20 0.43

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
SCHEMBL29773725 1.00 KRAS (0.49) KRASPLGHDAC4GRB2HDAC3
SCHEMBL29773694 1.00 KRAS (0.49) KRASPLGHDAC4GRB2HDAC3
SCHEMBL29414461 1.00 KRAS (0.49) KRASPLGHDAC4GRB2HDAC3
SCHEMBL29773723 1.00 KRAS (0.49) KRASPLGHDAC4GRB2HDAC3
SCHEMBL29884632 0.98 KRAS (0.51) KRASPLGHDAC4GRB2HDAC3
SCHEMBL31612918 0.98 KRAS (0.51) KRASPLGHDAC4GRB2HDAC3
SCHEMBL29390178 0.97 PLG (0.51) KRASPLGHDAC4HDAC3HDAC1
SCHEMBL19214159 0.97 KRAS (0.48) KRASPLGHDAC4GRB2HDAC3
SCHEMBL24756492 0.95 KRAS (0.49) KRASPLGHDAC4HDAC3HDAC1
SCHEMBL16576429 0.94 HDAC4 (0.53) PLGHDAC4HDAC3HDAC1HDAC2

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
Send feedback