SCHEMBL8538646

SCHEMBL8538646

CCc1ccccc1SC(=O)CC(=O)Sc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CETP P11597 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
POLB P06746 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL8538793 0.87 CETP (0.41) ACHECETPPOLBL3MBTL1HTT
SCHEMBL6954168 0.82 GABRA1 (0.44) ACHECETPGABRA1GABRB2HTT
SCHEMBL12419024 0.82 CA12 (0.55) ACHECETPGABRA1GABRB2L3MBTL1
SCHEMBL6963607 0.78 KMT2A (0.37) CETPALDH1A1KMT2AMDM4TP53
SCHEMBL8536457 0.78 MAPT (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13534776 0.77 RAB9A (0.51) ACHEPOLBGABRA1GABRB2L3MBTL1
SCHEMBL11873905 0.76 ALDH1A1 (0.54) ACHEL3MBTL1LMNAALDH1A1HPGD
SCHEMBL1520791 0.76 ACHE (0.43) ACHEGABRA1GABRB2L3MBTL1LMNA
SCHEMBL27642231 0.76 ACHE (0.47) ACHEGABRA1GABRB2L3MBTL1LMNA
SCHEMBL28760920 0.76 ACHE (0.47) ACHEPOLBGABRA1GABRB2L3MBTL1

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed