SCHEMBL5756749

SCHEMBL5756749

COc1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NCC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
P2RX7 Q99572 1/20 0.38
HPGD P15428 3/20 0.37
PNLIP P16233 1/20 0.36
CACNA1B Q00975 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5753527 0.92 NPC1 (0.39) POLBHTTNPC1ALDH1A1HPGD
SCHEMBL5753729 0.89 ALDH1A1 (0.36) POLBHTTNPC1ALDH1A1P2RX7
SCHEMBL5752573 0.89 KDM4E (0.41) POLBHTTALDH1A1P2RX7HPGD
SCHEMBL5759242 0.89 KDM4E (0.41) POLBHTTALDH1A1P2RX7HPGD
SCHEMBL5755757 0.89 KDM4E (0.41) POLBHTTALDH1A1P2RX7HPGD
SCHEMBL5757202 0.88 KDM4E (0.41) POLBHTTALDH1A1P2RX7HPGD
SCHEMBL5755085 0.88 SMN1; SMN2 (0.40) POLBHTTNPC1ALDH1A1HPGD
SCHEMBL5757305 0.87 REN (0.41) POLBALDH1A1P2RX7HPGDCACNA1B
SCHEMBL5754993 0.86 ALDH1A1 (0.39) ALDH1A1P2RX7CACNA1B
SCHEMBL5756321 0.86 CACNA1B (0.51) POLBALDH1A1P2RX7HPGDPNLIP

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