SCHEMBL11037512

SCHEMBL11037512

CC(C)COC(=O)C#CC1CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL10967025 0.75 CHRM2 (0.30)
SCHEMBL818755 0.75 TSHR (0.48) TSHRRAB9AALDH1A1LMNA
SCHEMBL11114301 0.74
SCHEMBL11041098 0.74 NAAA (0.40) TSHRALDH1A1EPHX2
SCHEMBL10934698 0.74 RAB9A (0.33) TSHRRAB9AALDH1A1
SCHEMBL293438 0.73 TSHR (0.39) TSHRRAB9AALDH1A1LMNAEPHX2
SCHEMBL16885806 0.72 TSHR (0.45) TSHRRAB9AALDH1A1LMNA
SCHEMBL31675156 0.70 TSHR (0.43) TSHRRAB9AALDH1A1LMNA
SCHEMBL2946396 0.69 TSHR (0.42) TSHRRAB9AALDH1A1
SCHEMBL11038560 0.68 EPHX1 (0.35)

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
EP-0038271-A2 Cyclopropane carboxylic acid derivatives, their preparation and use in combating parasites of plants and animals, their compositions and intermediates ROUSSEL-UCLAF (FR) 1981-10-21 EP disclosed