SCHEMBL28214715

SCHEMBL28214715

CCCCCCCCOc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
NR1I2 O75469 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADRA2A P08913 1/20 0.60
MAPT P10636 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
PTPN1 P18031 3/20 0.58
PTPN11 Q06124 5/20 0.56
PPARA Q07869 2/20 0.52
S1PR3 Q99500 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PPARG P37231 1/20 0.50
TSHR P16473 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL9153749 1.00 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL5722029 1.00 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL8085939 0.98 MEN1 (0.57) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL6840729 0.94 KMT2A (0.51) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL2552794 0.89 KMT2A (0.51) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL28359092 0.86 PTPN11 (0.57) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL168816 0.86 KMT2A (0.74) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL18141371 0.86 KMT2A (0.74) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL112985 0.86 KMT2A (0.74) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL527254 0.86 KMT2A (0.74) LMNAMEN1NR1I2CHRM2CYP3A4

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
CN-105829494-B Composite nanoparticles comprising phthalic acid derivatives 3M创新有限公司 2018-05-25 CN disclosed