SCHEMBL10433749

SCHEMBL10433749

CC(C)C(C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.53
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 3/20 0.45
METAP2 P50579 4/20 0.41
METAP1 P53582 3/20 0.41
LTA4H P09960 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL9177605 1.00 REN (0.53) RENSLC1A3SLC1A2SLC1A1METAP2
SCHEMBL7291539 1.00 REN (0.53) RENSLC1A3SLC1A2SLC1A1METAP2
SCHEMBL7317650 0.88 REN (0.53) RENMETAP2METAP1
SCHEMBL7317656 0.88 REN (0.53) RENMETAP2METAP1
SCHEMBL10589428 0.86 SLC1A3 (0.41) RENSLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL10587306 0.86 SLC1A3 (0.41) RENSLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL9575386 0.85 REN (0.56) RENMETAP2METAP1
SCHEMBL9685661 0.85 REN (0.56) RENMETAP2METAP1
SCHEMBL9858518 0.85 REN (0.56) RENMETAP2METAP1
SCHEMBL10588898 0.82 SLC1A3 (0.38) RENSLC1A3SLC1A2SLC1A1LTA4H

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
EP-0369141-A1 Aspartic protease inhibitors for the treatment of diseases caused by retroviruses MERCK PATENT GmbH (DE) 1990-05-23 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed