SCHEMBL13809702

SCHEMBL13809702

O=C(OCC(COC(=O)c1ccc(Cc2ccccc2)cc1)OC(=O)c1ccccc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
SERPINE1 P05121 1/20 0.50
PRKCA P17252 1/20 0.48
LMNA P02545 2/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
SLC1A5 Q15758 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN11 Q06124 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
SCHEMBL13809701 1.00 PTPN1 (0.55) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809712 1.00 PTPN1 (0.55) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809713 0.98 PTPN1 (0.56) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809705 0.92 SRD5A2 (0.57) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
Tribenzoin SCHEMBL28609 0.89 ALDH1A1 (0.67) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13599580 0.84 ALDH1A1 (0.61) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809680 0.83 PTPN1 (0.56) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809630 0.83 TSHR (0.59) PTPN1ALDH1A1KMT2ASERPINE1PRKCA
SCHEMBL13809664 0.83 PTPN1 (0.56) PTPN1ALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL13809707 0.83 ADRB2 (0.60) PTPN1ALDH1A1TDP1SLC6A2SLC6A3

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