SCHEMBL13809706

SCHEMBL13809706

O=C(OCC(COC(=O)c1ccc(Oc2ccccc2)cc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
PTPN1 P18031 2/20 0.55
ALDH1A1 P00352 2/20 0.54
SERPINE1 P05121 1/20 0.50
PRKCA P17252 1/20 0.48
PARP10 Q53GL7 1/20 0.47
SRD5A2 P31213 3/20 0.46
SLC1A5 Q15758 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
APP P05067 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL13809716 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PTPN1ALDH1A1SERPINE1PRKCA
SCHEMBL13809721 0.98 SMN1; SMN2 (0.59) SMN1; SMN2PTPN1ALDH1A1SERPINE1PRKCA
SCHEMBL13809705 0.92 SRD5A2 (0.57) SMN1; SMN2PTPN1ALDH1A1SERPINE1PRKCA
Tribenzoin SCHEMBL28609 0.89 ALDH1A1 (0.67) PTPN1ALDH1A1SERPINE1PRKCASLC1A5
SCHEMBL13809622 0.87 MAPT (0.58) PTPN1ALDH1A1SERPINE1PRKCAADRB2
SCHEMBL6936775 0.86 TSHR (0.52) SMN1; SMN2ALDH1A1PARP10SRD5A2TP53
SCHEMBL6881909 0.86 ALDH1A1 (0.56) PTPN1ALDH1A1SERPINE1PRKCATP53
SCHEMBL13809629 0.84 ELANE (0.58) SMN1; SMN2PTPN1ALDH1A1SERPINE1PRKCA
SCHEMBL13599580 0.84 ALDH1A1 (0.61) PTPN1ALDH1A1SERPINE1PRKCASLC1A5
SCHEMBL13809630 0.83 TSHR (0.59) SMN1; SMN2PTPN1ALDH1A1SERPINE1PRKCA

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-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed