SCHEMBL7986165

SCHEMBL7986165

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
PIN1 Q13526 6/20 0.54
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
BCL2L1 Q07817 1/20 0.53
OPRM1 P35372 4/20 0.50
RAB9A P51151 1/20 0.50
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT1 P42224 1/20 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
SCHEMBL7998294 0.89 HDAC3 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13753491 0.80 HDAC3 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13753385 0.80 HDAC3 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL38664814 0.78 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL741039 0.78 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3078403 0.76 TAS1R3 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL704949 0.76 TAS1R3 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4619875 0.75 TAS1R3 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17991867 0.75 PIN1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11296987 0.75 PIN1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2

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
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed