SCHEMBL8947076

SCHEMBL8947076

OCCCCC[CH]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC6 Q9UBN7 3/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.39
MGLL Q99685 1/20 0.39
TBXAS1 P24557 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.34
ABCC4 O15439 1/20 0.33

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
SCHEMBL9170505 0.88 TBXAS1 (0.42) HDAC2HDAC1HDAC3HDAC6TBXAS1
SCHEMBL7364660 0.80 ALDH1A1 (0.40) HDAC2HDAC1HDAC3HDAC6CA1
SCHEMBL28054660 0.79 POLB (0.40) HDAC2HDAC1HDAC3MGLLHDAC8
SCHEMBL28462617 0.77 SOAT2 (0.46) LMNATSHRPTGS1
SCHEMBL8670732 0.76 HDAC1 (0.47) HDAC2HDAC1HDAC3HDAC6HDAC4
SCHEMBL5747628 0.76 CA1 (0.47) HDAC2HDAC1HDAC6TP53CA1
SCHEMBL8709577 0.73 LSS (0.38) HDAC2HDAC1HDAC3HDAC6TP53
SCHEMBL5540196 0.71 HDAC2 (0.57) HDAC2HDAC1MGLL
SCHEMBL5534575 0.71 HDAC2 (0.57) HDAC2HDAC1MGLL
SCHEMBL8709601 0.71 GPR52 (0.49) TP53CA1MGLLSMN1; SMN2

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
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed