SCHEMBL9327739

SCHEMBL9327739

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](OC(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
KMT2A Q03164 3/20 0.45
ACE P12821 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PREP P48147 2/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
KLK7 P49862 3/20 0.42
KLK5 Q9Y337 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.41
PPARA Q07869 1/20 0.41
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
NTSR1 P30989 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL10607382 0.98 CTSL (0.49) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL9592654 0.85 CTSL (0.54) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL9773233 0.85 CTSL (0.54) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL10514501 0.85 KMT2A (0.41) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL9256682 0.84 CTSL (0.54) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL9732240 0.81 ACE (0.51) CTSLKMT2AACEMEN1CYP3A4
SCHEMBL11035731 0.81 ACE (0.44) KMT2AACEMEN1CYP3A4ALOX15
Trifluoroacetic Acid SCHEMBL10589143 0.80 DPP4 (0.41) KMT2AACEMEN1CYP3A4ALOX15
SCHEMBL11016674 0.79 ACE (0.73) KMT2AACEMEN1CYP3A4ALOX15
SCHEMBL9356920 0.78 HTR2C (0.46) KMT2AACEMEN1CYP3A4ALOX15

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-0243645-B1 Compounds having a nootropic activity, agents containing them and their use in the treatment and prophylaxis of cognitive malfunctions HOECHST AG (DE) 1994-03-16 EP disclosed