SCHEMBL13809705

SCHEMBL13809705

O=C(OCC(COC(=O)c1ccc(Oc2ccccc2)cc1)OC(=O)c1ccccc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SERPINE1 P05121 1/20 0.43
PRKCA P17252 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
HPGD P15428 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 2/20 0.41
FFAR1 O14842 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL13809706 0.92 SMN1; SMN2 (0.57) SRD5A2SMN1; SMN2PTPN1ALDH1A1TDP1
SCHEMBL13809701 0.92 PTPN1 (0.55) SMN1; SMN2PTPN1ALDH1A1SLC6A2SLC6A3
SCHEMBL13809702 0.92 PTPN1 (0.55) SMN1; SMN2PTPN1ALDH1A1SLC6A2SLC6A3
SCHEMBL13809712 0.92 PTPN1 (0.55) SMN1; SMN2PTPN1ALDH1A1SLC6A2SLC6A3
SCHEMBL13809716 0.92 SMN1; SMN2 (0.57) SRD5A2SMN1; SMN2PTPN1ALDH1A1TDP1
SCHEMBL13809713 0.91 PTPN1 (0.56) SRD5A2SMN1; SMN2PTPN1ALDH1A1SLC6A2
SCHEMBL13809721 0.91 SMN1; SMN2 (0.59) SRD5A2SMN1; SMN2PTPN1ALDH1A1KMT2A
Tribenzoin SCHEMBL28609 0.82 ALDH1A1 (0.67) PTPN1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL13809707 0.82 ADRB2 (0.60) SRD5A2SMN1; SMN2PTPN1ALDH1A1SLC6A2
SCHEMBL13809710 0.82 ADRB2 (0.60) SRD5A2SMN1; SMN2PTPN1ALDH1A1SLC6A2

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