SCHEMBL7220749

SCHEMBL7220749

COc1ccc(C(c2ccc(OCC3CO3)cc2)C2CCCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
UGCG Q16739 1/20 0.41
HTT P42858 1/20 0.40
DRD4 P21917 2/20 0.39
DHODH Q02127 1/20 0.39
GID4 Q8IVV7 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL7223404 0.89 ALDH1A1 (0.40) PKMALDH1A1KMT2AMEN1UGCG
SCHEMBL7221545 0.81 ALDH1A1 (0.46) PKMALDH1A1KMT2AMEN1UGCG
SCHEMBL7223322 0.80 PSMB1 (0.52) ALDH1A1KMT2AMEN1UGCG
Hydrochloric Acid SCHEMBL7223567 0.79 PSMB1 (0.51) TDP1ALDH1A1KMT2AMEN1UGCG
SCHEMBL7223883 0.79 PSMB1 (0.54) ALDH1A1KMT2AMEN1UGCGMAPT
SCHEMBL7223321 0.78 UGCG (0.44) PKMALDH1A1KMT2AMEN1UGCG
SCHEMBL7223351 0.77 TAS1R3 (0.44) ALDH1A1KMT2AMEN1UGCGHTT
SCHEMBL7223880 0.77 UGCG (0.43) ALDH1A1KMT2AMEN1UGCGHTT
Hydrochloric Acid SCHEMBL7223565 0.77 UGCG (0.43) ALDH1A1KMT2AMEN1UGCGHTT
SCHEMBL7220715 0.75 KDM4E (0.48) TDP1ALDH1A1KMT2AMEN1UGCG

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