SCHEMBL28820484

SCHEMBL28820484

O=C(O)c1ccc(OCCCCS)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 6/20 0.65
PKM P14618 1/20 0.65
RARB P10826 4/20 0.61
HTT P42858 3/20 0.61
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PLA2G4A P47712 1/20 0.58

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
SCHEMBL29797154 0.98 TP53 (0.70) TP53TSHRPLA2G4BPKMRARB
SCHEMBL31467534 0.94 PKM (0.67) TP53TSHRPLA2G4BPKMRARB
SCHEMBL1952122 0.90 TP53 (0.79) TP53TSHRPLA2G4BPKMRARB
SCHEMBL4410600 0.89 TP53 (0.59) TP53TSHRPLA2G4BPKMRARB
SCHEMBL5577017 0.89 TP53 (0.59) TP53TSHRPLA2G4BPKMRARB
SCHEMBL25527332 0.89 PKM (0.69) TP53TSHRPLA2G4BPKMRARB
SCHEMBL209561 0.88 TP53 (0.82) TP53TSHRPLA2G4BPKMRARB
SCHEMBL2180731 0.88 TP53 (0.82) TP53TSHRPLA2G4BPKMRARB
SCHEMBL7911508 0.88 TP53 (0.82) TP53TSHRPLA2G4BPKMRARB
SCHEMBL2183388 0.88 TP53 (0.82) TP53TSHRPLA2G4BPKMRARB

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-114779516-B Liquid crystal/polymer composite electric control light adjusting film and preparation method thereof 北京大学 2022-11-29 CN disclosed
CN-114779516-A Liquid crystal/polymer composite electric control light adjusting film and preparation method thereof 北京大学 2022-07-22 CN disclosed