SCHEMBL10629565

SCHEMBL10629565

CC(CO)OCC(C)OCC(C)Oc1ccc(C(C)(C)c2ccc(OC(C)COC(C)COC(C)CO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
HTT P42858 3/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33

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
SCHEMBL10627656 0.98 AR (0.46) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL5797232 0.87 AR (0.47) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL10629669 0.87 MTNR1A (0.39) KMT2ATSHRMTNR1AMTNR1BPOLB
SCHEMBL970565 0.80 MTNR1A (0.46) HPGDCYP1A2GAAMTNR1AMTNR1B
SCHEMBL1001112 0.80 MTNR1A (0.46) HPGDCYP1A2GAAMTNR1AMTNR1B
SCHEMBL8069451 0.80 HIF1A (0.42) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL8069455 0.80 HIF1A (0.42) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL8079027 0.80 HIF1A (0.42) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL12190272 0.79 AR (0.56) ARHTTHIF1AKDM4EALDH1A1
SCHEMBL872626 0.78 MTNR1A (0.47) HPGDCYP1A2GAAMTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4790907-A Synthetic fiber INTERA COMPANY, LTD. (US) 1988-12-13 US disclosed
US-4726968-A EMULSION POLYMERIZATION OF WATER-SOLUBLE CROSSLINKING VINYL MONOMER INTERA COMPANY, LTD., A TENNESSEE LIMITED PARTNERSHIP (US) 1988-02-23 US disclosed