SCHEMBL7287286

SCHEMBL7287286

C[C@H](CO)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
METAP2 P50579 10/20 0.37
METAP1 P53582 7/20 0.35
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7275433 1.00 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7275426 1.00 REN (0.46) RENMETAP2METAP1ALDH1A1KMT2A
Acetic Acid SCHEMBL7284468 0.93 REN (0.44) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL10591623 0.88 REN (0.46) RENMETAP2METAP1
SCHEMBL7274058 0.88 REN (0.49) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL6682408 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9556161 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9472371 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL9417458 0.85 REN (0.49) RENMETAP2METAP1
SCHEMBL7265179 0.85 REN (0.49) RENMETAP2METAP1

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-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed