SCHEMBL9775259

SCHEMBL9775259

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
PREP P48147 2/20 0.47
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ELANE P08246 1/20 0.40
CTSK P43235 2/20 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
SCHEMBL9175234 0.88 ACE (0.60) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9176326 0.88 ACE (0.60) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775231 0.87 ACE (0.54) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773188 0.86 ACE (0.70) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10591582 0.86 ACE (0.64) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775205 0.84 ACE (0.44) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773193 0.84 ACE (0.70) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773192 0.84 ACE (0.70) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9170201 0.84 ACE (0.64) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9170195 0.84 ACE (0.64) ACEMEN1KMT2ACYP3A4ALOX15

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
US-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed