SCHEMBL28397201

SCHEMBL28397201

CCCOc1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.78
ALDH1A1 P00352 3/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
PKM P14618 1/20 0.66
KMT2A Q03164 4/20 0.57
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
POLB P06746 1/20 0.52
AKR1C3 P42330 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
RHOA P61586 1/20 0.50
APP P05067 1/20 0.49
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
BCHE P06276 1/20 0.49
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL28397202 1.00 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL8784209 0.93 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL8784206 0.93 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL9015708 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL9717028 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL7969953 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL7970157 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL7970153 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL7969956 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL9717025 0.90 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMKMT2A

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-110769864-B Gel deodorant 艾饰庭株式会社 2021-05-07 CN disclosed
CN-110769864-A Gel deodorant 艾饰庭株式会社 2020-02-07 CN disclosed