SCHEMBL10659751

SCHEMBL10659751

CCCCN(CCCC)C(CC)Oc1ccc(-c2nc(-c3ccccc3)sc2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 12/20 0.66
ATP4B P51164 12/20 0.66
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39

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
SCHEMBL10661906 0.89 ATP4A (0.67) ATP4AATP4BALDH1A1MAPTPTGDR2
SCHEMBL10571329 0.81 ATP4A (0.64) ATP4AATP4BALDH1A1GAAMAPT
SCHEMBL10656397 0.80 ATP4A (0.65) ATP4AATP4B
SCHEMBL10659756 0.79 ATP4A (1.00) ATP4AATP4B
SCHEMBL12696805 0.76 LTA4H (0.41) MAPT
SCHEMBL7674368 0.74 NPC1 (0.49) HRH3ALDH1A1MAPTRAB9A
SCHEMBL7686736 0.73 ATP4A (0.60) ATP4AATP4BALDH1A1GAAMAPT
SCHEMBL10660395 0.73 ATP4A (0.65) ATP4AATP4BRAB9A
SCHEMBL10662353 0.73 ATP4A (0.61) ATP4AATP4BMAPTRAB9A
SCHEMBL10656918 0.72 ATP4A (0.62) ATP4AATP4BALDH1A1RAB9A

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
US-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US claimed
US-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed