SCHEMBL11117025

SCHEMBL11117025

CC(C)(C)OC(=O)C(F)=COC(=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.30
BTK Q06187 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL11107151 0.82 TP53 (0.33)
SCHEMBL11111493 0.81 HRH3 (0.33) HRH3KMT2AMEN1ALDH1A1TSHR
SCHEMBL11114383 0.81 HRH3 (0.33) HRH3KMT2AMEN1ALDH1A1TSHR
SCHEMBL11112409 0.79 OPRK1 (0.31) TSHR
SCHEMBL10916490 0.78 MAPT (0.44) KMT2AMEN1ALDH1A1
SCHEMBL11116916 0.77 KMT2A (0.32) KMT2A
SCHEMBL11106654 0.77
SCHEMBL11118496 0.76 GABRR1 (0.31)
SCHEMBL10934917 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11113584 0.74

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114012-A1 Esters of cyclopropane-carboxylic acids and unsaturated aliphatic alcohols, process and intermediates of preparation and pesticidal compositions containing them ROUSSEL-UCLAF (FR) 1984-07-25 EP disclosed