SCHEMBL8553675

SCHEMBL8553675

C=C(C)C(=O)OCc1cc([N+](=O)[O-])cc(C=S)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 6/20 0.38
POLB P06746 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GPR35 Q9HC97 1/20 0.34
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GLO1 Q04760 1/20 0.32
GALR3 O60755 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL8125146 0.89 ERN1 (0.50) ERN1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL9846472 0.88 ERN1 (0.36) ERN1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL8553666 0.82 ERN1 (0.39) ERN1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL8553669 0.80 ERN1 (0.41) ERN1ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL8555675 0.76 GLO1 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11024806 0.75 KMT2A (0.38) ALDH1A1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL11029585 0.75 CYP1A2 (0.44) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL9706985 0.74 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL11028650 0.74 HTT (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11026774 0.72 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2RAB9ALMNA

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