SCHEMBL7998201

SCHEMBL7998201

Cc1c(CCl)cccc1SCC(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
HPGD P15428 8/20 0.51
TSHR P16473 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7997433 0.88 ALDH1A1 (0.52) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL7983893 0.80 ALDH1A1 (0.50) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL7963947 0.75 RAB9A (0.70) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL12503286 0.68 FKBP1A (0.71) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL7994038 0.68 HTR7 (0.33)
SCHEMBL24893070 0.68 L3MBTL1 (0.53) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL9529304 0.66 RAB9A (0.97) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL24893103 0.66 AR (0.53) ALDH1A1L3MBTL1MAPTNPSR1SMN1; SMN2
SCHEMBL31329299 0.66 SMN1; SMN2 (0.64) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL16726972 0.65 GAA (0.46) ALDH1A1HPGDTSHRKDM4EL3MBTL1

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed