SCHEMBL7044002

SCHEMBL7044002

Cc1cc(Oc2cc(C)c(OCCO)c(C)c2)cc(C)c1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1I2 O75469 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 2/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
S1PR1 P21453 2/20 0.34

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
SCHEMBL16448973 0.86 BRD4 (0.53) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL3398525 0.83 HTR1A (0.58) HTR1ABRD4ALDH1A1KDM4EKMT2A
SCHEMBL11703620 0.79 HTR1A (0.44) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL3182203 0.79 KMT2A (0.53) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL10358895 0.79 SCN4A (0.49) HTR1ABRD4KDM4EKMT2AMAPK1
SCHEMBL25193508 0.79 HTR1A (0.44) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL7048196 0.78 HTR1A (0.43) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL8201459 0.78 HTR1A (0.43) HTR1ABRD4ALDH1A1POLBKDM4E
SCHEMBL347042 0.78 HTR1A (0.43) HTR1ABRD4ALDH1A1RECQLCYP1A2
SCHEMBL4687492 0.76 HTR1A (0.42) HTR1ABRD4ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751183-B1 Thermo-shrinkable polyester films TOYO BOSEKI (JP) 2003-04-09 EP disclosed
EP-0271928-B1 Thermo-shrinkable polyester film TOYO BOSEKI (JP) 1997-04-16 EP disclosed
EP-0751183-A2 A polyester composition used for thermoshrinkable films Toyo Boseki Kabushiki Kaisha (JP) 1997-01-02 EP disclosed
US-4996291-A Wrapping material TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-02-26 US disclosed