SCHEMBL22481271

SCHEMBL22481271

CC(C)(C)OC(=O)CC[C@H](N)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
ENPEP Q07075 4/20 0.37
ANPEP P15144 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL31301833 0.87 ANPEP (0.38) ENPEPANPEPHDAC3HDAC1HDAC2
SCHEMBL29299745 0.86 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7824510 0.83 CYP2D6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8724713 0.81 HDAC3 (0.35) LTA4HENPEPANPEPHDAC3HDAC1
SCHEMBL6326119 0.81 HDAC3 (0.35) LTA4HENPEPANPEPHDAC3HDAC1
SCHEMBL6326116 0.81 HDAC3 (0.35) LTA4HENPEPANPEPHDAC3HDAC1
SCHEMBL5197386 0.81 HDAC3 (0.35) ENPEPANPEPHDAC3HDAC1HDAC2
SCHEMBL29283794 0.81 HDAC3 (0.35) ENPEPANPEPHDAC3HDAC1HDAC2
SCHEMBL14090833 0.81 SLC1A1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14279759 0.80 ALDH1A1 (0.44) ENPEPANPEPHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504732-A2 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF University of Connecticut (US) 2025-02-12 EP disclosed
WO-2023192975-A2 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2023-10-05 WO disclosed
WO-2020198682-A1 METHODS FOR SYNTHESIZING β-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed