SCHEMBL29768865

SCHEMBL29768865

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MDM2 Q00987 6/20 0.51
▸ TLR2 O60603 3/20 0.50
▸ TLR1 Q15399 1/20 0.50
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ ACE P12821 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
SCHEMBL29812585 1.00 KMT2A (0.53) KMT2AMDM2TLR2TLR1KLK7
SCHEMBL24246257 1.00 KMT2A (0.53) KMT2AMDM2TLR2TLR1KLK7
SCHEMBL16870063 1.00 KMT2A (0.53) KMT2AMDM2TLR2TLR1KLK7
SCHEMBL24246233 0.98 KMT2A (0.52) KMT2AMDM2TLR2TLR1KLK7
SCHEMBL999302 0.92 KMT2A (0.58) KMT2AMDM2TLR2TLR1KLK7
SCHEMBL2292778 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1ALDH1A1
SCHEMBL1738182 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1ALDH1A1
SCHEMBL2524769 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1ALDH1A1
SCHEMBL30886226 0.92 MDM2 (0.59) KMT2AMDM2TLR2TLR1ALDH1A1
SCHEMBL12040103 0.92 KMT2A (0.58) KMT2AMDM2TLR2TLR1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271387-A1 NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCS CONTAINING AND USE THEREOF Immunext, Inc. (US) 2023-11-08 — — EP disclosed
WO-2023186072-A1 LIGAND-DRUG CONJUGATE AND USE THEREOF 江苏先声药业有限公司 2023-10-05 — — WO disclosed
EP-4136118-A1 ANTI-HUMAN VISTA ANTIBODIES AND USE THEREOF Immunext, Inc. (US) 2023-02-22 — — EP disclosed
WO-2022150637-A1 NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF IMMUNEXT, INC. (US) 2022-07-14 — — WO disclosed
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