SCHEMBL11041005

SCHEMBL11041005

CC1(C)C(C#CC(=O)OC2CCCCC2)C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
CYP2C19 P33261 1/20 0.33
NAAA Q02083 2/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11036742 0.98 EPHX1 (0.33) EPHX1CYP2C19NAAAFABP7FABP5
SCHEMBL10934603 0.98 EPHX1 (0.33) EPHX1CYP2C19NAAAFABP7FABP5
SCHEMBL6441315 0.76 FABP7 (0.42) EPHX1CYP2C19NAAAFABP7FABP5
SCHEMBL10546278 0.75
SCHEMBL11038560 0.74 EPHX1 (0.35) EPHX1CYP2C19NAAAHTT
SCHEMBL2531983 0.74 EPHX1 (0.48) EPHX1CYP2C19NAAAFABP7FABP5
SCHEMBL10545565 0.74 UGT2B7 (0.31)
SCHEMBL11038595 0.74 CYP19A1 (0.30)
SCHEMBL11042654 0.73 SLC1A3 (0.31)
SCHEMBL2528803 0.72 EPHX1 (0.45) EPHX1CYP2C19NAAAFABP7FABP5

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
EP-0038271-B1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN COMBATING PARASITES OF PLANTS AND ANIMALS, THEIR COMPOSITIONS AND INTERMEDIATES ROUSSEL-UCLAF (FR) 1984-07-04 EP disclosed
US-4402972-A INSECTICIDES ROUSSEL UCLAF (FR) 1983-09-06 US disclosed