SCHEMBL11697173

SCHEMBL11697173

CC(=O)CCCCCCCc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC2 Q92769 1/20 0.71
TRPV1 Q8NER1 1/20 0.62
HDAC8 Q9BY41 1/20 0.59
TRPA1 O75762 1/20 0.57
CYP3A4 P08684 2/20 0.56
FAAH O00519 1/20 0.55
MGLL Q99685 1/20 0.55
CALM1 P0DP23 1/20 0.54
TAAR1 Q96RJ0 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL15931848 0.94 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL29364835 0.88 CYP3A4 (0.62) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL7406 0.88 CYP3A4 (0.62) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL30989338 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL19783665 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL5191016 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2TRPV1
Acetone SCHEMBL28206012 0.85 HDAC1 (0.63) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL17084609 0.85 HDAC1 (0.70) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL28503964 0.85 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC2TRPV1
SCHEMBL11637630 0.83 TRPV1 (0.55) HDAC1HDAC3HDAC6HDAC2TRPV1

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