SCHEMBL9347282

SCHEMBL9347282

COC(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.53
CYP3A4 P08684 5/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL23043376 1.00 FKBP1A (0.53) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL5965409 0.95 FKBP1A (0.56) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL15406170 0.95 FKBP1A (0.56) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL1472797 0.94 FKBP1A (0.60) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL1472792 0.90 FKBP1A (0.64) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL1472793 0.90 FKBP1A (0.64) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL13248928 0.90 FKBP1A (0.64) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL5458626 0.88 CYP3A4 (0.54) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL5451605 0.88 CYP3A4 (0.54) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL9352245 0.88 CYP3A4 (0.54) FKBP1ACYP3A4ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342963-A Optically active pyrrolidine derivative AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0513398-A1 INTERMEDIATE FOR SYNTHESIS OF CARBAPENEM AND PRODUCTION OF SAID INTERMEDIATE Ajinomoto Co., Inc. (JP) 1992-11-19 EP disclosed