SCHEMBL9654037

SCHEMBL9654037

OC(Oc1ccccc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
SLC6A9 P48067 1/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1D P28221 2/20 0.39
CYP2D6 P10635 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9654028 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL11233807 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL16793322 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL23057217 0.76 KMT2A (0.44) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL11794321 0.76 PPARA (0.59) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL11834009 0.76 SLC6A9 (0.51) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL11358356 0.76 L3MBTL1 (0.44) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL27666195 0.75 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL421711 0.75 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL28827105 0.73 KDM4E (0.51) SLC6A2SLC6A4SLC6A3KMT2AMEN1

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-0472118-A1 Process for production of alpha,alpha-dialkoxycetones BASF Aktiengesellschaft (DE) 1992-02-26 EP disclosed