SCHEMBL29214641

SCHEMBL29214641

CCC(=O)C(C)O.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.39
PTGS2 P35354 3/20 0.38
TP53 P04637 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL105913 0.84
SCHEMBL1819319 0.84
SCHEMBL1820421 0.84
SCHEMBL29124840 0.82
Formaldehyde SCHEMBL2108473 0.79 TP53 (0.40) TP53
Bicarbonate SCHEMBL27946878 0.79 TP53 (0.47) TP53HDAC3HDAC4HDAC1HDAC7
Formaldehyde SCHEMBL9318612 0.79 TP53 (0.40) TP53
Lactic Acid SCHEMBL5072826 0.74 TP53 (0.65) SMN1; SMN2MAPTPTGS2TP53CYP1A2
SCHEMBL4559586 0.71 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MAPTPTGS2HPGD
SCHEMBL4558925 0.71 PTGS2 (0.67) SMN1; SMN2L3MBTL1MAPTPTGS2NPC1

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-118021695-A Comfortable and dyed hair care composition and preparation method and application thereof 广东领康日用品有限公司 2024-05-14 CN disclosed