SCHEMBL9780500

SCHEMBL9780500

CCCCCCCCCCOc1cccc(C(=O)c2ccccc2C(=O)O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
NR1I2 O75469 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
MAPT P10636 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PTPN11 Q06124 3/20 0.54
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
PTPN1 P18031 2/20 0.53
CYP2C9 P11712 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3157236 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL9845258 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL10697079 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL10697925 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL458732 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL9845253 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL9845257 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL10696267 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL10695463 0.90 MEN1 (0.60) CYP3A4KMT2ALMNAMEN1NR1I2
SCHEMBL10425699 0.88 LMNA (0.58) CYP3A4KMT2ALMNAMEN1NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3258749-A None JP disclosed
JP-H03258749-A BENZOPHENONE DERIVATIVE, PRODUCTION THEREOF AND DRUG CONTAINING SAME DERIVATIVE ONO PHARMACEUT CO LTD 1991-11-19 JP disclosed