SCHEMBL6410025

SCHEMBL6410025

CCOC(=O)C1C2CCCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.49
PTPN1 P18031 1/20 0.49
PPP1CC P36873 1/20 0.49
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.40
TLR4 O00206 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL14874553 0.91 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL14189737 0.91 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL14874442 0.91 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL9939091 0.87 PPM1B (0.42) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL12131803 0.85 PPM1B (0.44) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL11244590 0.83 PPM1B (0.62) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL14189734 0.83 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL10050521 0.83 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL14189733 0.83 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL8400471 0.83 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MAPT

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-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed