SCHEMBL7220715

SCHEMBL7220715

CCCCN(CCCC)CC(O)COc1ccc(C(c2ccc(OC)cc2)C2CCCc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
UGCG Q16739 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.39
BCHE P06276 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL7223605 0.85 ADRB3 (0.46) KDM4EKMT2AMEN1UGCGHTT
SCHEMBL7224992 0.77 ADRB3 (0.42) KDM4EKMT2AMEN1UGCGHTT
SCHEMBL7221545 0.77 ALDH1A1 (0.46) KMT2AMEN1UGCGHTTALDH1A1
SCHEMBL7220749 0.75 PKM (0.46) TDP1KMT2AMEN1UGCGHTT
SCHEMBL7223322 0.74 PSMB1 (0.52) KMT2AMEN1UGCGALDH1A1
SCHEMBL7223883 0.73 PSMB1 (0.54) KMT2AMEN1UGCGALDH1A1POLB
Hydrochloric Acid SCHEMBL7223567 0.73 PSMB1 (0.51) TDP1KMT2AMEN1UGCGALDH1A1
SCHEMBL7229768 0.73 KDM4E (0.48) KDM4EMAPK1TDP1KMT2AMEN1
SCHEMBL7223351 0.72 TAS1R3 (0.44) KMT2AMEN1UGCGHTTALDH1A1
SCHEMBL7223321 0.70 UGCG (0.44) KMT2AMEN1UGCGHTTALDH1A1

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
US-6610705-B1 Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-26 US disclosed