SCHEMBL28133333

SCHEMBL28133333

CCC(O)(C(=O)O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
CYP2C19 P33261 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP1A2 P05177 1/20 0.40
NOTUM Q6P988 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL25294724 0.85 ACHE (0.45) ACHERXRARXRBHDAC8HDAC4
Methane SCHEMBL27773188 0.83 ACHE (0.44) ACHERXRARXRBHDAC8HDAC4
SCHEMBL28207893 0.83 ACHE (0.44) ACHERXRARXRBHDAC8HDAC4
SCHEMBL7899580 0.83 CYP2C19 (0.47) HDAC8HDAC4HDAC2CYP2C19CYP1A2
SCHEMBL584028 0.83 CYP2C19 (0.47) HDAC8HDAC4HDAC2CYP2C19CYP1A2
SCHEMBL5570579 0.83 CYP2C19 (0.47) HDAC8HDAC4HDAC2CYP2C19CYP1A2
Hydrazine SCHEMBL27719623 0.82 ACHE (0.43) ACHERXRARXRBHDAC8HDAC4
SCHEMBL14192029 0.81 KCNN4 (0.49) HDAC2CYP2C19CYP1A2HDAC3HDAC6
Ammonia Solution, Strong SCHEMBL3396016 0.81 CYP2C19 (0.45) CYP2C19CYP1A2CYP2C9HIF1A
Chloroform SCHEMBL28846288 0.80 ACHE (0.41) ACHERXRARXRBHDAC8HDAC4

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
CN-106762663-A Rotary compressor and the refrigeration plant with the rotary compressor 广东美芝精密制造有限公司 2017-05-31 CN disclosed