SCHEMBL14624873

SCHEMBL14624873

COc1cc2c(cc1OC)-c1c(cc(OC)c(OC)c1OC)CC1C(=O)OCC1C2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
ATM Q13315 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP2 O95551 2/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 2/20 0.43
RAD52 P43351 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
PTPRCAP Q14761 1/20 0.43

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
SCHEMBL7438626 0.91 ATM (0.54) ACHEATMTUBB4ATUBBTUBA3C
Stegane SCHEMBL5014561 0.90 TUBB4A (0.53) ACHEATMRAD52DRD2DRD1
Picrostegane SCHEMBL14097820 0.90 TUBB4A (0.53) ACHEATMRAD52DRD2DRD1
SCHEMBL9951919 0.75 GSK3B (0.47) ACHEATMDRD2DRD1HTR2A
SCHEMBL14097830 0.71 CYP3A4 (0.54) ATMALDH1A1MAPTTUBB4ATUBB
SCHEMBL5014622 0.71 CYP3A4 (0.54) ATMALDH1A1MAPTTUBB4ATUBB
SCHEMBL28950301 0.68 TUBB4A (0.57) ATMKDM4EALDH1A1TDP2MAPT
Steganacin SCHEMBL66054 0.68 LMNA (0.57) ALDH1A1MAPTTUBB4ATUBBTUBA3C
(-)-Steganacin SCHEMBL10065023 0.68 LMNA (0.57) ALDH1A1MAPTTUBB4ATUBBTUBA3C
Steganacin SCHEMBL14138211 0.68 LMNA (0.57) ALDH1A1MAPTTUBB4ATUBBTUBA3C

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
WO-2007005760-A1 METHODS OF APPLICATION OF CHEMICAL COMPOUNDS HAVING THERAPEUTIC ACTIVITIES IN TREATING CANCERS WANG HAIBIN (US) 2007-01-11 WO disclosed