SCHEMBL31004028

SCHEMBL31004028

C=CCOC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ KMT2A Q03164 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 4/20 0.43
▸ CASP3 P42574 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
SCHEMBL29398713 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL12221104 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL12221123 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL29217894 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL30202339 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL25358748 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL30003033 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL25358745 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL29401186 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL30819043 0.97 TLR2 (0.50) TLR2KMT2AHDAC1HDAC2MDM4

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
WO-2024151843-A1 TARGETED UNIVERSAL DELIVERY SYSTEM OF DON AND OTHER DRUGS THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-18 — — WO disclosed
Send feedback