Sugi Predict

Sugi Predict / Compounds / SCHEMBL3620200

SCHEMBL3620200

SCHEMBL3620200

CC(OC(=O)CCCCCCC(=O)OC(C)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL14639143 0.95 CYP1A2 (0.48) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL7533289 0.94 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL9056707 0.94 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL27889292 0.93 CTSL (0.47) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3117890 0.91 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3117549 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3126781 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3121355 0.89 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3111340 0.88 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRLMNACTSL
SCHEMBL3117566 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRLMNACTSL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367190-B2 At low temperature, fast hardening composition for preparing protecting film, protecting film prepared therefrom, and substrate comprising the same LG CHEM, LTD. (KR) 2013-02-05 — — US claimed
US-20100080973-A1 LOW TEMPERATURE, FAST HARDENING COMPOSITION FOR PREPARING PROTECTING FILM, PROTECTING FILM PREPARED THEREFROM, AND SUBSTRATE COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-04-01 — — US claimed
WO-2008035890-A1 AT LOW TEMPERATURE, FAST HARDENING COMPOSITION FOR PREPARING PROTECTING FILM, PROTECTING FILM PREPARED THEREFROM, AND SUBSTRATE COMPRISING THE SAME LG CHEM, LTD. (KR) 2008-03-27 — — WO claimed
EP-3374467-B1 COMPOSITIONS OF PHOTO-ALIGNABLE MATERIALS ROLIC TECH AG (CH) 2020-04-15 — — EP disclosed
US-20180320072-A1 COMPOSITIONS OF PHOTO-ALIGNABLE MATERIALS Rolic Technologies AG (CH) 2018-11-08 — — US disclosed
EP-3374467-A1 COMPOSITIONS OF PHOTO-ALIGNABLE MATERIALS ROLIC Technologies AG (CH) 2018-09-19 — — EP disclosed
WO-2017080977-A1 COMPOSITIONS OF PHOTO-ALIGNABLE MATERIALS ROLIC AG (CH) 2017-05-18 — — WO disclosed
US-8367190-B2 At low temperature, fast hardening composition for preparing protecting film, protecting film prepared therefrom, and substrate comprising the same LG CHEM, LTD. (KR) 2013-02-05 — — US disclosed
US-20100080973-A1 LOW TEMPERATURE, FAST HARDENING COMPOSITION FOR PREPARING PROTECTING FILM, PROTECTING FILM PREPARED THEREFROM, AND SUBSTRATE COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-04-01 — — US disclosed
WO-2008035890-A1 AT LOW TEMPERATURE, FAST HARDENING COMPOSITION FOR PREPARING PROTECTING FILM, PROTECTING FILM PREPARED THEREFROM, AND SUBSTRATE COMPRISING THE SAME LG CHEM, LTD. (KR) 2008-03-27 — — WO disclosed