SCHEMBL11111493

SCHEMBL11111493

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL11117025 0.81 HRH3 (0.34) HRH3HPGDMEN1ALDH1A1TSHR
SCHEMBL11106520 0.81 SMN1; SMN2 (0.34)
SCHEMBL11114383 0.80 HRH3 (0.33) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL11108154 0.77 MAPT (0.44) MEN1ALDH1A1TSHRKMT2A
SCHEMBL11116983 0.74
SCHEMBL10932451 0.74 PPM1B (0.38) ALDH1A1
SCHEMBL11642455 0.72 KMT2A (0.30) KMT2A
SCHEMBL28492122 0.71 HRH3 (0.51) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL186721 0.71 HRH3 (0.51) HRH3HPGDRECQLMEN1ALDH1A1
SCHEMBL1295721 0.71 HRH3 (0.51) HRH3HPGDRECQLMEN1ALDH1A1

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-0108679-A1 Derivatives of cyclopropane-carboxylic acid containing an alkylthiocarbonyl group and a halogen atom, their preparation, their use as parasiticides for plants, animals and premises, and compositions containing them ROUSSEL-UCLAF (FR) 1984-05-16 EP disclosed