SCHEMBL11367332

SCHEMBL11367332

C=CC1CC1C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL12415445 0.90 PPM1B (0.35) PPM1BPTPN1PPP1CCKDM4EGLA
SCHEMBL11372934 0.90 TSHR (0.49) TSHRHPGDHCAR2ALDH1A1
SCHEMBL882933 0.87 CA1 (0.38) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL1128162 0.87 CA1 (0.38) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL30158792 0.87 CA1 (0.38) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL2127524 0.84 PPM1B (0.39) PPM1BPTPN1PPP1CCKDM4EGLA
SCHEMBL12357210 0.84 PPM1B (0.39) PPM1BPTPN1PPP1CCKDM4EGLA
SCHEMBL12415461 0.82 PPM1B (0.45) PPM1BPTPN1PPP1CCKDM4EGLA
SCHEMBL1297333 0.80 PPM1B (0.47) PPM1BPTPN1PPP1CCKDM4EGLA
SCHEMBL8274706 0.79 TSHR (0.40) TSHRGRM2GRM3ALDH1A1L3MBTL1

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-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