SCHEMBL30309096

SCHEMBL30309096

CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H](Cc2cccc(I)c2)C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.68
▸ ATM Q13315 2/20 0.68
▸ MEN1 O00255 1/20 0.66
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACE P12821 1/20 0.45
▸ ACACB O00763 4/20 0.44
▸ ACACA Q13085 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL25964575 1.00 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL28057007 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388983 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388984 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL18011186 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16606805 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16609114 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL17982949 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
Dimethylamine SCHEMBL10425391 0.88 KMT2A (0.79) KMT2AATMMEN1MAPK1LMNA
SCHEMBL390283 0.87 KMT2A (0.65) KMT2AATMMEN1MAPK1LMNA

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
EP-4161585-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING University of Copenhagen (DK) 2023-04-12 — — EP disclosed
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