SCHEMBL10656808

SCHEMBL10656808

CCCCN(CCCC)C(CC)Oc1ccc(-c2csc(-c3cc(OC)cc(OC)c3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 16/20 0.67
ATP4B P51164 16/20 0.67
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
SREBF2 Q12772 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL10659819 0.93 ATP4A (0.65) ATP4AATP4BSREBF2KDM4EPOLB
SCHEMBL10660395 0.89 ATP4A (0.65) ATP4AATP4BSREBF2KDM4E
SCHEMBL10656397 0.86 ATP4A (0.65) ATP4AATP4B
SCHEMBL10664829 0.85 ATP4A (0.66) ATP4AATP4BKDM4E
SCHEMBL10656898 0.83 ATP4A (0.67) ATP4AATP4B
SCHEMBL10656957 0.82 ATP4A (0.68) ATP4AATP4BKDM4EMAPT
SCHEMBL10656918 0.82 ATP4A (0.62) ATP4AATP4B
SCHEMBL10656811 0.80 ATP4A (1.00) ATP4AATP4B
SCHEMBL10662353 0.80 ATP4A (0.61) ATP4AATP4BSREBF2MAPT
SCHEMBL10663257 0.79 ATP4A (0.55) ATP4AATP4BSREBF2

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