SCHEMBL9767957

SCHEMBL9767957

Nc1ccc(Cl)c(COC(=O)C(Cl)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CYP3A4 P08684 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
HTR2C P28335 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KMO O15229 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
SLC1A5 Q15758 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9767917 0.84 GAA (0.39) GAACYP3A4MEN1CYP1A2KMT2A
SCHEMBL16291117 0.80 CYP3A4 (0.41) CYP3A4MEN1CYP1A2KMT2ATSHR
SCHEMBL9735392 0.78 NOTUM (0.42) GAACYP3A4TSHRCHRM2CHRM3
SCHEMBL9767953 0.78 FFAR4 (0.47) MEN1CYP1A2KMT2AALDH1A1HSD17B10
SCHEMBL8326571 0.71 LMNA (0.50) CYP3A4MEN1CYP1A2KMT2ATSHR
SCHEMBL9767948 0.71 CYP3A4 (0.38) CYP3A4MEN1CYP1A2KMT2ATSHR
SCHEMBL9734886 0.70 CYP3A4 (0.39) GAACYP3A4MEN1CYP1A2KMT2A
SCHEMBL7767699 0.70 CYP3A4 (0.41) GAACYP3A4CYP1A2KMT2ATSHR
SCHEMBL11316537 0.69 CYP3A4 (0.46) GAACYP3A4TSHRHTR2ASLC6A4
SCHEMBL16291006 0.68 EPHX2 (0.47) GAACYP3A4MEN1CYP1A2KMT2A

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-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed