SCHEMBL5753219

SCHEMBL5753219

COc1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)[C@@H]2CSCCN2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CACNA1B Q00975 2/20 0.34
GHSR Q92847 7/20 0.33
P2RX7 Q99572 2/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 1/20 0.32
POLB P06746 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
HPGD P15428 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
SCHEMBL5757143 0.94 ALDH1A1 (0.35) ALDH1A1CACNA1BGHSRP2RX7KMT2A
SCHEMBL5754339 0.94 ALDH1A1 (0.35) ALDH1A1CACNA1BGHSRP2RX7KMT2A
SCHEMBL5753832 0.93 CACNA1B (0.36) CACNA1BBACE1
SCHEMBL5756478 0.90 CACNA1B (0.34) ALDH1A1CACNA1BP2RX7KMT2APOLB
SCHEMBL5757162 0.90 CACNA1B (0.34) ALDH1A1CACNA1BP2RX7KMT2APOLB
SCHEMBL5756377 0.88 ALDH1A1 (0.34) ALDH1A1CACNA1BP2RX7LMNAKMT2A
SCHEMBL5755208 0.87 CACNA1B (0.36) ALDH1A1CACNA1BLMNABACE1HPGD
SCHEMBL5759242 0.87 KDM4E (0.41) ALDH1A1CACNA1BGHSRP2RX7LMNA
SCHEMBL5752573 0.87 KDM4E (0.41) ALDH1A1CACNA1BGHSRP2RX7LMNA
SCHEMBL5755757 0.87 KDM4E (0.41) ALDH1A1CACNA1BGHSRP2RX7LMNA

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed