SCHEMBL13809703

SCHEMBL13809703

O=C(OCC(COC(=O)c1ccc(OC2CCCCC2)cc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 1/20 0.46
PARP10 Q53GL7 1/20 0.45
FFAR1 O14842 1/20 0.44
PRKCA P17252 1/20 0.43
EPHX2 P34913 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
SERPINE1 P05121 1/20 0.42
POLB P06746 1/20 0.40
ELANE P08246 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL13809704 1.00 SCN1A (0.48) SCN1ASCN2ASCN3ALMNACYP1A2
SCHEMBL13809714 1.00 SCN1A (0.48) SCN1ASCN2ASCN3ALMNACYP1A2
SCHEMBL13809715 0.95 SCN1A (0.51) SCN1ASCN2ASCN3ALMNACYP1A2
SCHEMBL13809691 0.82 ALDH1A1 (0.50) SCN1ASCN2ASCN3ALMNACYP1A2
SCHEMBL13809709 0.82 ALDH1A1 (0.50) SCN1ASCN2ASCN3ALMNACYP1A2
SCHEMBL13809689 0.82 ALDH1A1 (0.50) SCN1ASCN2ASCN3ALMNACYP1A2
Tribenzoin SCHEMBL28609 0.80 ALDH1A1 (0.67) LMNAALDH1A1PTPN1PRKCAKMT2A
SCHEMBL19381880 0.80 KMT2A (0.58) SCN1ASCN2ASCN3ALMNAALDH1A1
SCHEMBL13809706 0.79 SMN1; SMN2 (0.57) ALDH1A1PTPN1PARP10PRKCASERPINE1
SCHEMBL13809716 0.79 SMN1; SMN2 (0.57) ALDH1A1PTPN1PARP10PRKCASERPINE1

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