SCHEMBL18040256

SCHEMBL18040256

COc1cc(CC(O)(O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 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
SCHEMBL25083003 0.80 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL27982502 0.78 RAB9A (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL29976361 0.77 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL67755 0.77 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL3645769 0.76 ALDH1A1 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL124590 0.76 ALDH1A1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL4043187 0.75 ALDH1A1 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL18622104 0.75 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL6573968 0.74 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL40798 0.73 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683393-B2 Methods of solid freeform fabrication RICOH CO., LTD. (JP) 2020-06-16 — — US disclosed
US-20170260328-A1 Methods for Solid Freeform Fabrication RICOH CO., LTD. (JP) 2017-09-14 — — US disclosed
US-9695280-B2 Methods for solid freeform fabrication RICOH CO., LTD. (JP) 2017-07-04 — — US disclosed
US-20160257783-A1 Methods for Solid Freeform Fabrication RICOH CO., LTD. (JP) 2016-09-08 — — US disclosed
EP-3064526-A1 METHODS FOR SOLID FREEFORM FABRICATION Ricoh Company, Ltd. (JP) 2016-09-07 — — EP disclosed
Send feedback