SCHEMBL31235812

SCHEMBL31235812

CC(C)(C)OC(=O)CC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ NOD1 Q9Y239 2/20 0.40
▸ ACE P12821 1/20 0.39
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ P2RY12 Q9H244 2/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ C3AR1 Q16581 1/20 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
SCHEMBL20132290 0.93 AKT1 (0.43) AKT1NOD1ACEP2RY12
SCHEMBL20873310 0.93 AKT1 (0.43) AKT1NOD1ACEP2RY12
SCHEMBL31235846 0.88 AKT1 (0.39) AKT1ACEPTGS1PTGS2HDAC3
SCHEMBL18495353 0.87 PTGS1 (0.42) AKT1PTGS1PTGS2HDAC3HDAC1
SCHEMBL22044586 0.84 AKT1 (0.48) AKT1ACEHDAC3HDAC1HDAC8
SCHEMBL15919172 0.84 AKT1 (0.41) AKT1ACEKMT2APOLBP2RY12
SCHEMBL16273727 0.84 AKT1 (0.41) AKT1ACEKMT2APOLBP2RY12
SCHEMBL22045035 0.83 AKT1 (0.48) AKT1ACEPTGS1PTGS2HDAC3
SCHEMBL16156903 0.83 PTGS1 (0.53) NOD1PTGS1PTGS2FOLH1
SCHEMBL24983125 0.82 NOD1 (0.47) NOD1PTGS1PTGS2KMT2AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642484-A1 TARGETED TREATMENT OF PROSTATE CANCERS AND OTHER TUMORS BY AN ANTIBODY-DRUG CONJUGATE Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP disclosed
WO-2024239281-A1 TARGETED TREATMENT OF PROSTATE CANCERS AND OTHER TUMORS BY AN ANTIBODY-DRUG CONJUGATE HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO disclosed
Send feedback