SCHEMBL920680

SCHEMBL920680

CC(C)(C)OC(=O)Oc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(OC(=O)OC(C)(C)C)cc5)cc4)c3-c3ccc(-c4ccc(OC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.55
KDM1A O60341 1/20 0.42
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 1/20 0.39
NR1H2 P55055 2/20 0.38
CA2 P00918 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD17B10 Q99714 1/20 0.35
OPRD1 P41143 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8322047 0.89 ELANE (0.54) ELANEKDM1APPARGPPARACYP2C9
SCHEMBL4059798 0.85 ELANE (0.72) ELANEKDM1ANR1H2CA2LMNA
SCHEMBL8323471 0.83 ELANE (0.48) ELANEKDM1APPARGPPARACYP2C9
SCHEMBL4060624 0.82 ELANE (0.64) ELANEKDM1ACYP2C9CYP2C19CA2
SCHEMBL23208392 0.81 ELANE (0.51) ELANEKDM1APPARGPPARACYP2C9
Trifluoromethanesulfonic Acid SCHEMBL7122599 0.80 ELANE (0.45) ELANEKDM1APPARGPPARACYP2C9
SCHEMBL919670 0.80 ELANE (0.66) ELANEKDM1ANR1H2CA2LMNA
SCHEMBL978959 0.80 ELANE (0.66) ELANEKDM1ANR1H2CA2LMNA
SCHEMBL4061370 0.80 ELANE (0.81) ELANEKDM1ACA2LMNAMAPT
SCHEMBL12812870 0.78 ELANE (0.51) ELANEKDM1APPARGPPARACYP2C9

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-7871755-B2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 2011-01-18 US disclosed
US-20090081582-A1 irradiating a predetermined region of photosensitive layer, subjecting the photosensitive layer after baking to development treatment with an alkali aqueous solution to selectively remove the light-exposed part; has a photo-acid generator which generates an acid by the action of actinic radiation KABUSHIKI KAISHA TOSHIBA 2009-03-26 US disclosed