SCHEMBL8798461

SCHEMBL8798461

COc1cc(NC(=O)NCCC(=O)N(CCO)CCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LPAR1 Q92633 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VCAM1 P19320 3/20 0.33
VNN1 O95497 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CNR1 P21554 1/20 0.32
GAA P10253 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8801653 0.85 LPAR1 (0.34) LPAR1KMT2AMEN1VNN1LMNA
SCHEMBL8798606 0.73 ALOX5 (0.32) LPAR1LMNA
Hydrochloric Acid SCHEMBL8704056 0.72 CA1 (0.54) CA1CA2LPAR1KMT2AMEN1
SCHEMBL8704676 0.69 MAPK14 (0.53) CA1CA2LPAR1KMT2AMEN1
SCHEMBL8707922 0.69 CA1 (0.41) CA1CA2LPAR1ALDH1A1VCAM1
SCHEMBL8798615 0.68 LPAR1 (0.30) LPAR1
SCHEMBL8798236 0.68 MEN1 (0.36) CA1CA2KMT2AMEN1KDM4E
SCHEMBL8373943 0.68 KDM4E (0.55) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8704585 0.67 KDM4E (0.54) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13917314 0.67 ALDH1A1 (0.55) KMT2AMEN1KDM4EALDH1A1MAPT

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-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed