SCHEMBL29884584

SCHEMBL29884584

CC(C)CCC/C=C/CCCC[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](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.47
▸ PLG P00747 1/20 0.46
▸ NTSR1 P30989 4/20 0.44
▸ GRB2 P62993 1/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ ALB P02768 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ ELANE P08246 2/20 0.42
▸ OXTR P30559 1/20 0.42
▸ CIB1 Q99828 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL29390495 0.94 KRAS (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL29884109 0.94 KRAS (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL29773696 0.94 KRAS (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL29773704 0.94 KRAS (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL29773756 0.92 PLG (0.51) KRASPLGNTSR1HDAC4FLT1
SCHEMBL30928172 0.89 PLG (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL21303808 0.89 PLG (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL29773718 0.89 PLG (0.49) KRASPLGNTSR1GRB2HDAC4
SCHEMBL12131181 0.88 ELANE (0.51) KRASPLGFLT1ELANE
SCHEMBL29414461 0.88 KRAS (0.49) KRASPLGNTSR1GRB2HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135171-A1 DEVICES, SYSTEMS, AND METHODS FOR AUTOMATED DELIVERY OF TOPICAL MEDICATION GOULD DANIEL J (US) 2025-05-01 — — US disclosed
US-20240189558-A1 DEVICES, SYSTEMS, AND METHODS FOR DELIVERING TOPICAL MEDICATION GOULD DANIEL J (US) 2024-06-13 — — US disclosed
US-20240189561-A1 DEVICES, SYSTEMS, AND METHODS FOR DELIVERING TOPICAL MEDICATION GOULD DANIEL J (US) 2024-06-13 — — US disclosed
US-20240189560-A1 DEVICES, SYSTEMS, AND METHODS FOR DELIVERING TOPICAL MEDICATION GOULD DANIEL J (US) 2024-06-13 — — US disclosed
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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