SCHEMBL11464355

SCHEMBL11464355

O=C(O)C(C(=O)O)c1ccc2c(c1)CCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
ACACB O00763 2/20 0.50
FFAR1 O14842 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PRKCI P41743 1/20 0.46
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
PLA2G10 O15496 1/20 0.44
FABP4 P15090 1/20 0.44

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
SCHEMBL13789557 0.87 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11462446 0.85 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11551781 0.85 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27581541 0.84 PTGS1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11236632 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11559518 0.83 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Bromide SCHEMBL11347047 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11551550 0.81 ACACB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11480526 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11465265 0.79 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4229575-A ANTIBIOTICS RICHARDSON-MERRELL INC. (US) 1980-10-21 US disclosed
US-4138397-A BACTERICIDES RICHARDSON-MERRELL INC. (US) 1979-02-06 US disclosed