SCHEMBL9775268

SCHEMBL9775268

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.47
ACE P12821 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9775281 0.88 ALDH1A1 (0.46) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775263 0.87 NAAA (0.39) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775300 0.86 ACE (0.44) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9774191 0.83 PREP (0.47) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775231 0.82 ACE (0.54) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775291 0.81 NAAA (0.38) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774174 0.81 ACE (0.52) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774133 0.81 PREP (0.47) FKBP1AACEMEN1KMT2AUSP2
SCHEMBL9775269 0.79 ACE (0.46) FKBP1AACEMEN1KMT2ACYP3A4
SCHEMBL9775452 0.79 ACE (0.68) 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