SCHEMBL30487463

SCHEMBL30487463

[2H]c1cc(C(C)(C)C)ccc1C(=O)C(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
SRD5A2 P31213 1/20 0.47
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL305930 0.86 HDAC1 (0.57) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL11298330 0.75 CA2 (0.46) HDAC1SRD5A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3671753 0.74 HDAC1 (0.42) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL10716855 0.74 HDAC1 (0.42) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL3685029 0.74 ESR1 (0.46) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL15251658 0.73 RXRA (0.44) RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL30259525 0.73 SRC (0.43) ALDH1A1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5927848 0.71 HDAC1 (0.59) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL5932218 0.71 HDAC1 (0.59) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL4422774 0.71 HDAC1 (0.39) HDAC1SRD5A2ALDH1A1RAB9AMEN1

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
CN-112672873-B Resin composition suitable for printing and printing method 莱奥本矿业大学 2024-02-02 CN disclosed
CN-115449261-B Preparation method of coffee flavor printing ink based on recovery of coffee bean waste 扬州市祥华新材料科技有限公司 2023-07-11 CN disclosed