SCHEMBL23926948

SCHEMBL23926948

[c]1ccc(CCC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD4 P21917 5/20 0.36
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1712058 0.80 KMT2A (0.41) MEN1KMT2AALOX5SLC6A2SLC6A4
SCHEMBL6575936 0.78 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL1176943 0.78 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL2077308 0.78 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL24137898 0.78 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL52143 0.78 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL27911953 0.78 SLC5A1 (0.34) TAAR1
Ammonia Solution, Strong SCHEMBL28002354 0.77 MEN1 (0.61) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL27722859 0.76 TSHR (0.47) MEN1KMT2ACYP3A4ALDH1A1GLA
SCHEMBL8804583 0.75 DRD4 (0.51) MEN1KMT2AALOX5SLC6A2SLC6A4

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
EP-3900830-A1 METHOD FOR REGENERATING WASTE ORGANOZINC CATALYST THROUGH SURFACE MODIFICATION LG Chem, Ltd. (KR) 2021-10-27 EP disclosed