SCHEMBL11036742

SCHEMBL11036742

CC1(C)C(C#CC(=O)OC2CCCC2)C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
NAAA Q02083 2/20 0.31
CYP2C19 P33261 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 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
SCHEMBL10934603 1.00 EPHX1 (0.33) EPHX1NAAACYP2C19FABP7FABP5
SCHEMBL11041005 0.98 EPHX1 (0.35) EPHX1NAAACYP2C19FABP7FABP5
SCHEMBL10546278 0.76
SCHEMBL11038560 0.76 EPHX1 (0.35) EPHX1NAAACYP2C19
SCHEMBL10545565 0.75 UGT2B7 (0.31)
SCHEMBL11038595 0.75 CYP19A1 (0.30)
SCHEMBL11042654 0.74 SLC1A3 (0.31)
SCHEMBL6441315 0.73 FABP7 (0.42) EPHX1NAAACYP2C19FABP7FABP5
SCHEMBL2528803 0.73 EPHX1 (0.45) EPHX1NAAACYP2C19FABP7FABP5
SCHEMBL10547245 0.72 LMNA (0.36)

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