SCHEMBL24201016

SCHEMBL24201016

CCC(C)C(C(CC(=O)N1CCC[C@H]1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C(=O)CNC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 2/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
REN P00797 2/20 0.36
CTSD P07339 2/20 0.35
CTSE P14091 2/20 0.35
BACE1 P56817 1/20 0.35
FOLH1 Q04609 2/20 0.34
FAP Q12884 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACE P12821 3/20 0.32
ACE2 Q9BYF1 2/20 0.32

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
SCHEMBL24837234 1.00 SSTR2 (0.39) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL24837336 0.96 SSTR2 (0.38) SSTR2CYP3A4CTSDCTSEBACE1
SCHEMBL24201085 0.96 SSTR2 (0.38) SSTR2CYP3A4CTSDCTSEBACE1
SCHEMBL20196483 0.94 ATM (0.41) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL21699253 0.94 ATM (0.41) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL21699555 0.94 ATM (0.41) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL19647231 0.94 ATM (0.41) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL20054942 0.94 ATM (0.41) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL21444786 0.93 ATM (0.38) SSTR2ATML3MBTL1CYP3A4REN
SCHEMBL21699534 0.93 SSTR2 (0.38) SSTR2ATML3MBTL1CYP3A4REN

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-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed