SCHEMBL6046682

SCHEMBL6046682

COC(=O)c1cccc(CCl)c1CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
GLA P06280 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CA1 P00915 2/20 0.40

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
SCHEMBL31568483 0.92 ALDH1A1 (0.47) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL22469663 0.92 ALDH1A1 (0.47) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL315804 0.89 LMNA (0.52) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL2802347 0.84 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL6534556 0.83 ALDH1A1 (0.47) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL7715910 0.83 ALDH1A1 (0.49) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL25362705 0.81 ALDH1A1 (0.61) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL7717040 0.81 ALDH1A1 (0.47) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL28680548 0.80 ALDH1A1 (0.53) ALDH1A1LMNATSHRHSD17B10CFTR
Hydrochloric Acid SCHEMBL6475587 0.80 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10CFTR

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-1622717-A2 AFFINITY-BASED ENRICHMENT OF PHOSPHORYLATED PEPTIDES AND/OR PROTEINS ProteoSys AG (DE) 2006-02-08 EP disclosed
WO-2004099233-A2 AFFINITY-BASED ENRICHMENT OF PHOSPHORYLATED PEPTIDES AND/OR PROTEINS PROTEOSYS AG (DE) 2004-11-18 WO disclosed