SCHEMBL8798633

SCHEMBL8798633

COc1cc(NC(=O)N(Cc2ccccc2)CC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LIMK2 P53671 1/20 0.42
YAP1 P46937 3/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
STS P08842 2/20 0.41
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
TGFBR1 P36897 3/20 0.40
SGMS1 Q86VZ5 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL8798271 0.91 SLC2A1 (0.47) SLC2A1EPHX2GPR119STSTGFBR1
Hydrochloric Acid SCHEMBL8798541 0.84 ALDH1A1 (0.41) EPHX2PKMALDH1A1
Hydrochloric Acid SCHEMBL8798247 0.76 GAA (0.47) KDM4EALDH1A1
SCHEMBL3082993 0.74 KDM4E (0.53) SLC2A1KDM4EPKMLIMK2YAP1
SCHEMBL8799906 0.74 UBE2M (0.41)
SCHEMBL19867107 0.73 KDM4E (0.58) KDM4EPKMLIMK2YAP1JAK2
SCHEMBL1622025 0.72 JAK2 (0.60) SLC2A1KDM4EPKMLIMK2JAK2
SCHEMBL1623986 0.72 JAK2 (0.60) SLC2A1KDM4EPKMLIMK2JAK2
SCHEMBL15462496 0.72 JAK2 (0.60) SLC2A1KDM4EPKMLIMK2JAK2
SCHEMBL8799426 0.69 ACHE (0.42) EPHX2ALDH1A1

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