SCHEMBL11084203

SCHEMBL11084203

OCCCCCCOc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
PTPN7 P35236 1/20 0.56
KMT2A Q03164 1/20 0.56
PTPN12 Q05209 1/20 0.56
HRH2 P25021 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
PPARA Q07869 1/20 0.51
RECQL P46063 1/20 0.50
KCNA3 P22001 1/20 0.50
FAAH O00519 6/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KCNH3 Q9ULD8 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL11085273 0.93 ALDH1A1 (0.59) ALDH1A1MEN1MAPTPTPN7KMT2A
SCHEMBL4317286 0.87 ALDH1A1 (0.67) ALDH1A1MEN1MAPTPTPN7KMT2A
SCHEMBL21772362 0.85 DRD2 (0.50) ALDH1A1MEN1KMT2AGAAALOX15
SCHEMBL14173693 0.84 ALDH1A1 (0.54) ALDH1A1MEN1MAPTPTPN7KMT2A
SCHEMBL1006073 0.83 KCNA3 (0.73) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL1007517 0.83 KCNA3 (0.73) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL1006824 0.83 KCNA3 (0.73) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL1006520 0.83 KCNA3 (0.73) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL812412 0.83 KCNA3 (0.73) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL11528042 0.83 ALDH1A1 (0.63) ALDH1A1MEN1MAPTPTPN7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4457868-A Method for esterification MOBIL OIL CORPORATION (US) 1984-07-03 US claimed
US-4457868-A Method for esterification MOBIL OIL CORPORATION (US) 1984-07-03 US disclosed
US-4141848-A ANTIOXIDANTS MOBIL OIL CORPORATION (US) 1979-02-27 US disclosed