SCHEMBL28013261

SCHEMBL28013261

CCOC(=O)Nc1cc(Oc2ccccc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 3/20 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
SCHEMBL7254155 0.83 ALDH1A1 (0.54) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9091689 0.80 RAB9A (1.00) HPGDRAB9ANPC1CRHBPCRHR2
SCHEMBL8009724 0.79 CYP1A2 (0.75) HPGDALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL9816008 0.78 CYP1A2 (0.58) HPGDALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL7257115 0.78 ALDH1A1 (0.64) HPGDRAB9ANPC1CRHBPCRHR2
SCHEMBL7257110 0.76 MEN1 (0.72) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL11302948 0.74 CYP1A2 (0.58) HPGDRAB9ANPC1CRHBPCRHR2
SCHEMBL28401182 0.74 ALDH1A1 (0.72) HPGDRAB9ANPC1CRHBPCRHR2
SCHEMBL28421860 0.74 NPC1 (0.68) HPGDRAB9ANPC1CRHBPCRHR2
SCHEMBL11673269 0.73 HPGD (0.52) HPGDRAB9ANPC1CRHBPCRHR2

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
CN-104430418-B The compositions of preventing and treating coccid and method 徐国超 2017-01-04 CN disclosed
CN-104430418-A Composition and method for preventing and treating scale insects XU GUOCHAO 2015-03-25 CN disclosed