SCHEMBL7323217

SCHEMBL7323217

CCC(CC)C(O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.41
LTA4H P09960 1/20 0.36
METAP2 P50579 2/20 0.36
EPHX1 P07099 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7323220 1.00 REN (0.41) RENLTA4HMETAP2EPHX1CTSK
SCHEMBL9226159 0.85 REN (0.45) RENLTA4HCTSK
SCHEMBL7280734 0.85 REN (0.45) RENLTA4HCTSK
SCHEMBL9226154 0.85 REN (0.45) RENLTA4HCTSK
SCHEMBL1862727 0.80 LTA4H (0.43) RENLTA4HMETAP2CTSKKMT2A
SCHEMBL7292991 0.79 REN (0.43) RENLTA4HEPHX1KMT2A
SCHEMBL9800476 0.79 REN (0.45) REN
SCHEMBL7429514 0.79 REN (0.43) RENLTA4H
SCHEMBL9800474 0.79 REN (0.45) REN
SCHEMBL4972480 0.79 METAP2 (0.43) RENLTA4HMETAP2EPHX1

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-0332008-A2 Peptide-like aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed