SCHEMBL9846339

SCHEMBL9846339

[N-]=[N+]=CC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.61
ACE P12821 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FKBP1A P62942 6/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL11764594 0.85 PREP (0.71) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL2228388 0.85 PREP (0.71) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL29302758 0.84 PREP (0.57) PREPALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL2082597 0.84 PREP (0.69) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL10149465 0.84 PREP (0.57) PREPALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL9518270 0.83 PREP (0.68) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL11033242 0.83 PREP (0.68) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL11761001 0.82 PREP (0.67) PREPACEALDH1A1FKBP1AKMT2A
SCHEMBL9464405 0.82 PREP (0.67) PREPACEALDH1A1FKBP1ATSHR
SCHEMBL11760983 0.82 PREP (0.67) PREPACEALDH1A1FKBP1AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60172929-A None JP disclosed
EP-0414903-A1 NEW THIOPROLINE DERIVATIVE KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-03-06 EP disclosed
JP-S60172929-A AGENT FOR ALLEVIATING AMNESIA YAKULT HONSHA CO LTD 1985-09-06 JP disclosed