SCHEMBL8195092

SCHEMBL8195092

O=C(O)C(COc1ccccc1Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 1/20 0.52
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1D P28221 4/20 0.49
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 2/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 3/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL27263541 0.85 KMT2A (0.54) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL21837903 0.79 CYP1A2 (0.51) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL5159157 0.79 MEN1 (0.54) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL21895849 0.79 MEN1 (0.54) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL21671283 0.79 CYP1A2 (0.51) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL18228678 0.78 SCN4A (0.53) MEN1KMT2APOLBCYP2C19TDP1
SCHEMBL8369882 0.77 POLB (0.40) MEN1KMT2APOLBCYP2C19CYP1A2
Methyl Alcohol SCHEMBL28310472 0.76 SCN4A (0.47) MEN1KMT2APOLBCYP1A2TDP1
SCHEMBL21837423 0.75 HTR1D (0.53) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL30861819 0.75 HTR1D (0.53) MEN1KMT2APOLBCYP2C19CYP1A2

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
US-6054621-A FOR CONTROLLING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed