SCHEMBL6718985

SCHEMBL6718985

COC(=O)c1ccccc1C[NH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 1/20 0.60
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 2/20 0.53
CFTR P13569 1/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 3/20 0.51
GLA P06280 1/20 0.49
HTT P42858 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.46
MYC P01106 1/20 0.46

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
SCHEMBL10360804 0.84 ALDH1A1 (0.77) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL70322 0.84 ALDH1A1 (0.66) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL156281 0.84 ALDH1A1 (0.66) ALDH1A1LMNATSHRHIF1AHSD17B10
Hydrochloric Acid SCHEMBL2159177 0.83 ALDH1A1 (0.60) ALDH1A1LMNATSHRHIF1AHSD17B10
Hydrochloric Acid SCHEMBL25289042 0.83 ALDH1A1 (0.60) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL2093835 0.82 ALDH1A1 (0.64) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL5345862 0.82 ALDH1A1 (0.64) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL2093831 0.82 ALDH1A1 (0.64) ALDH1A1LMNATSHRHIF1AHSD17B10
Hydrochloric Acid SCHEMBL6645395 0.82 ALDH1A1 (0.55) ALDH1A1LMNATSHRHIF1AHSD17B10
SCHEMBL2773146 0.81 ALDH1A1 (0.58) ALDH1A1LMNATSHRHIF1AHSD17B10

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed