SCHEMBL11257434

SCHEMBL11257434

CCCCCCCCNCC(O)COc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.53
ATP4B P51164 1/20 0.53
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
HDAC3 O15379 9/20 0.50
HDAC4 P56524 9/20 0.50
HDAC1 Q13547 9/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC2 Q92769 9/20 0.50
HDAC10 Q969S8 9/20 0.50
HDAC11 Q96DB2 9/20 0.50
HDAC8 Q9BY41 9/20 0.50
HDAC6 Q9UBN7 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
ACHE P22303 2/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL11252882 1.00 ATP4A (0.53) ATP4AATP4BCHRNB4CHRNA3CHRNA7
SCHEMBL11258657 0.86 ATP4A (0.51) ATP4AATP4BCHRNB4CHRNA3CHRNA7
SCHEMBL11253350 0.85 ADRB2 (0.56) CHRNB4CHRNA3CHRNA7HDAC3HDAC4
SCHEMBL11258032 0.82 HDAC3 (0.52) CHRNB4CHRNA3CHRNA7HDAC3HDAC4
SCHEMBL11248636 0.81 ADRB2 (0.57) CHRNB4CHRNA3CHRNA7HDAC3HDAC4
SCHEMBL11244652 0.81 CYP2D6 (0.58) CHRNB4CHRNA3CHRNA7HDAC3HDAC4
SCHEMBL11281283 0.80 LMNA (0.53) CHRNB4CHRNA3CHRNA7HDAC3HDAC4
SCHEMBL9320573 0.80 ATP4A (0.74) ATP4AATP4BCHRNB4CHRNA3CHRNA7
SCHEMBL11257221 0.79
SCHEMBL11255256 0.79 HDAC3 (0.52) CHRNB4CHRNA3CHRNA7HDAC3HDAC4

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-4338330-A HYPOTENSIVE AGENTS CONTINENTAL PHARMA (BE) 1982-07-06 US claimed
US-4338330-A HYPOTENSIVE AGENTS CONTINENTAL PHARMA (BE) 1982-07-06 US disclosed