SCHEMBL9320123

SCHEMBL9320123

CCC(=O)COc1cccc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
GAA P10253 3/20 0.59
MAPK1 P28482 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 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
SCHEMBL9122157 0.92 KMT2A (0.56) KMT2AGAAMAPK1POLBMAPT
SCHEMBL9320727 0.87 KMT2A (0.60) KMT2AGAAMAPK1POLBMAPT
SCHEMBL9912233 0.86 KMT2A (0.59) KMT2AGAAMAPK1POLBMAPT
SCHEMBL12250691 0.84 KMT2A (0.61) KMT2AGAAMAPK1POLBMAPT
SCHEMBL7892555 0.83 KMT2A (0.56) KMT2AGAAMAPK1POLBMAPT
SCHEMBL11128406 0.82 KMT2A (0.62) KMT2AGAAMAPK1POLBMAPT
SCHEMBL654293 0.82 LMNA (0.69) KMT2AGAAMAPK1POLBMAPT
SCHEMBL8976610 0.82 KMT2A (0.62) KMT2AGAAMAPK1POLBMAPT
SCHEMBL30024728 0.82 LMNA (0.69) KMT2AGAAMAPK1POLBMAPT
SCHEMBL6309076 0.81 CYP3A4 (0.61) KMT2ALMNAALDH1A1

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
US-5286905-A Heating hydrogen halide salt of phenoxyalkylamine with dicyandiamide in paraffinic hydrocarbon solvent IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-02-15 US disclosed
EP-0492615-A1 Process for producing biguanide derivative IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed