SCHEMBL9767917

SCHEMBL9767917

CC(C(=O)O)C(=O)OCc1cc(N)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2C P28335 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOB P27338 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9767957 0.84 GAA (0.37) GAACHRM2CHRM3MAOAHTR2C
SCHEMBL9735392 0.80 NOTUM (0.42) GAACHRM2CHRM3MAOAHTR2C
SCHEMBL16291117 0.79 CYP3A4 (0.41) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL9734886 0.75 CYP3A4 (0.39) GAACHRM2CHRM3MAOAHTR2C
SCHEMBL8326571 0.73 LMNA (0.50) MAOAALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL11316537 0.71 CYP3A4 (0.46) GAAKDM4EALDH1A1CYP3A4HTR2A
SCHEMBL9767948 0.70 CYP3A4 (0.38) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL4277534 0.69 MAOA (0.44) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL7767699 0.69 CYP3A4 (0.41) GAACHRM2CHRM3MAOAHTR2C
SCHEMBL282088 0.69 CYP3A4 (0.52) GAACHRM2CHRM3MAOAHTR2C

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