SCHEMBL7275840

SCHEMBL7275840

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H](CCCCCC(=O)O)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
NAAA Q02083 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
RABGGTB P53611 2/20 0.31
RABGGTA Q92696 2/20 0.31
PTGER2 P43116 1/20 0.31
EPHX1 P07099 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
TBXA2R P21731 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL10448591 0.92 RABGGTB (0.33) SPHK1LMNARABGGTBRABGGTAEPHX1
SCHEMBL9444999 0.85 EPHX1 (0.33) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL9444993 0.85 EPHX1 (0.33) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL9438130 0.84 SPHK1 (0.32) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL7378718 0.84 SPHK1 (0.32) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL7378719 0.84 SPHK1 (0.32) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL7387129 0.83 RABGGTB (0.33) RABGGTBRABGGTA
SCHEMBL7300252 0.82 EPHX1 (0.33) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL9516511 0.82 EPHX1 (0.33) SPHK1RABGGTBRABGGTAEPHX1CTSD
SCHEMBL7267154 0.82 EPHX1 (0.33) SPHK1RABGGTBRABGGTAEPHX1CTSD

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-0391180-A2 Peptide derivatives of amino acids having a renin-inhibiting effect F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed