SCHEMBL9320573

SCHEMBL9320573

CCCCCCCCOc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.74
ATP4B P51164 1/20 0.74
ACHE P22303 4/20 0.69
CHRNB4 P30926 1/20 0.68
CHRNA3 P32297 1/20 0.68
CHRNA7 P36544 1/20 0.68
HDAC3 O15379 9/20 0.66
HDAC4 P56524 9/20 0.66
HDAC1 Q13547 9/20 0.66
HDAC7 Q8WUI4 9/20 0.66
HDAC2 Q92769 9/20 0.66
HDAC10 Q969S8 9/20 0.66
HDAC11 Q96DB2 9/20 0.66
HDAC8 Q9BY41 9/20 0.66
HDAC6 Q9UBN7 9/20 0.66
HDAC9 Q9UKV0 9/20 0.66
HDAC5 Q9UQL6 9/20 0.66
DRD3 P35462 2/20 0.64
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62

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
SCHEMBL5141117 0.99 ATP4A (0.76) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL465440 0.93 HDAC3 (0.73) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL465463 0.93 HDAC3 (0.73) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL465560 0.93 HDAC3 (0.73) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL465443 0.92 ACHE (0.75) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL11624627 0.91 ACHE (0.74) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL31063784 0.91 ACHE (0.74) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL465492 0.89 ACHE (0.75) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL9006360 0.86 ACHE (0.68) ATP4AATP4BACHECHRNB4CHRNA3
SCHEMBL9094859 0.86 HDAC3 (0.68) ATP4AATP4BACHECHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251760-B1 Rubber composition BRIDGESTONE CORP (JP) 1994-01-26 EP disclosed
US-5140055-A Improved high speed grip performance BRIDGESTONE CORPORATION (JP) 1992-08-18 US disclosed
EP-0251760-A2 Rubber composition Bridgestone Corporation (JP) 1988-01-07 EP disclosed