SCHEMBL11697307

SCHEMBL11697307

COc1ccc2c(c1)COO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL2 P10415 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MTNR1A P48039 1/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 1/20 0.39
METAP1 P53582 2/20 0.39

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
SCHEMBL17287663 0.79 CA2 (0.48) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL11698120 0.78 RAB9A (0.42) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL11695720 0.73 GSK3B (0.30)
SCHEMBL17287829 0.73 DRD2 (0.42) DRD2DRD3CA2CA1
SCHEMBL17287671 0.72 MEN1 (0.49) MAPTALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL6833886 0.69 AHR (0.43) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7158984 0.69 LMNA (0.50) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL1697236 0.69 CYP3A4 (0.43) MAPTALDH1A1RAB9ADRD2DRD3
SCHEMBL11694183 0.69 CA1 (0.40) MAPTKDM4EALDH1A1GAADRD2
SCHEMBL2809969 0.69 GSK3B (0.33)

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed