SCHEMBL13809709

SCHEMBL13809709

O=C(OCC(COC(=O)c1ccc(C2CCCCC2)cc1)OC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
PTPN1 P18031 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HAO1 Q9UJM8 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
SERPINE1 P05121 1/20 0.43
SLC18A3 Q16572 1/20 0.43
KMO O15229 1/20 0.43
PRKCA P17252 1/20 0.42

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
SCHEMBL13809689 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTPTPN1LMNA
SCHEMBL13809691 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTPTPN1LMNA
SCHEMBL13809711 0.95 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTPTPN1LMNA
SCHEMBL14403169 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNACYP1A2
SCHEMBL13809703 0.82 SCN1A (0.48) ALDH1A1PTPN1LMNACYP1A2CYP2D6
SCHEMBL13809714 0.82 SCN1A (0.48) ALDH1A1PTPN1LMNACYP1A2CYP2D6
SCHEMBL13809704 0.82 SCN1A (0.48) ALDH1A1PTPN1LMNACYP1A2CYP2D6
Tribenzoin SCHEMBL28609 0.82 ALDH1A1 (0.67) ALDH1A1PTPN1LMNAMEN1KMT2A
SCHEMBL813138 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTPTPN1LMNA
SCHEMBL21396315 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNACYP1A2

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