SCHEMBL8913320

SCHEMBL8913320

CCC(O)C(O)C(O)C(N)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.50
METAP2 P50579 7/20 0.43
METAP1 P53582 4/20 0.38
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8913322 1.00 REN (0.50) RENMETAP2METAP1CYP1A2ALDH1A1
SCHEMBL8913327 1.00 REN (0.50) RENMETAP2METAP1CYP1A2ALDH1A1
SCHEMBL7274162 0.95 REN (0.55) RENMETAP2METAP1CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL9848324 0.85 REN (0.47) RENMETAP2METAP1
SCHEMBL9417404 0.84 REN (0.49) RENMETAP2METAP1CYP1A2ALDH1A1
SCHEMBL9503799 0.84 REN (0.45) RENMETAP2METAP1
SCHEMBL9507429 0.84 REN (0.45) RENMETAP2METAP1
SCHEMBL9506691 0.84 REN (0.45) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7317283 0.83 REN (0.48) RENMETAP2METAP1CYP1A2ALDH1A1
SCHEMBL7274619 0.81 REN (0.46) 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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed