SCHEMBL11698952

SCHEMBL11698952

Cc1cc2c(cc1CO)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX5 P09917 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP2D6 P10635 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL9150579 0.83 ALDH1A1 (0.38) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL3663402 0.83 ACHE (0.39) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL13754300 0.80 ACHE (0.41) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL9149554 0.79 ALDH1A1 (0.39) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL28727085 0.78 KMT2A (0.41) ALDH1A1MEN1MAPTKMT2ACYP3A4
SCHEMBL8593771 0.78 TAAR1 (0.41) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL8005199 0.78 CYP3A4 (0.44) ALDH1A1GAAKDM4EMEN1USP2
SCHEMBL11698407 0.77 CYP3A4 (0.54) ACHEALDH1A1GAAKDM4EMEN1
SCHEMBL5097086 0.75 SHBG (0.52) SHBGALDH1A1KDM4EMAPTPDCD1
SCHEMBL352250 0.75 CYP3A4 (0.53) ALDH1A1KDM4EMEN1KMT2ACYP3A4

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