SCHEMBL8553669

SCHEMBL8553669

C=C(C)C(=O)OCc1cc([N+](=O)[O-])cc(C=O)c1S

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.33
GLO1 Q04760 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
PRKDC P78527 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31

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
SCHEMBL9846467 0.88 ERN1 (0.40) ERN1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL8125146 0.88 ERN1 (0.50) ERN1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL9706985 0.85 ALDH1A1 (0.37) ALDH1A1POLBRAB9ASMN1; SMN2HTT
SCHEMBL8553675 0.80 ERN1 (0.38) ERN1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL10718466 0.77 ALDH1A1 (0.44) ERN1ALDH1A1MAPTLMNAKMT2A
SCHEMBL11024806 0.76 KMT2A (0.38) ALDH1A1POLBRAB9ASMN1; SMN2HTT
SCHEMBL11029585 0.76 CYP1A2 (0.44) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL10377296 0.75 GLO1 (0.39) ERN1ALDH1A1SMN1; SMN2HTTGLO1
SCHEMBL11028650 0.74 HTT (0.42) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL11026774 0.73 ALDH1A1 (0.39) ALDH1A1POLBRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529100-B1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KK (JP) 1998-11-11 EP disclosed
EP-0530369-B1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KK (JP) 1997-02-05 EP disclosed
EP-0466938-B1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KK (JP) 1996-12-27 EP disclosed
EP-0411157-B1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KK (JP) 1996-05-22 EP disclosed
US-5403702-A Crystals consisting of an indolinospirobenzopyran derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-04-04 US disclosed
US-5320784-A Crystal comprising an indolinospirobenzothiopyran derivative and its ring opened isomer OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-14 US disclosed
US-5252742-A Spiropyran compounds OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-10-12 US disclosed
US-5241027-A MACROMOLECULAR SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-08-31 US disclosed
EP-0530369-A1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0529100-A1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
EP-0466938-A1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed
EP-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed