SCHEMBL9846467

SCHEMBL9846467

C=C(C)C(=O)OCCc1cc([N+](=O)[O-])cc(C=O)c1S

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
THRB P10828 1/20 0.35
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
GLO1 Q04760 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
APEX1 P27695 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8553669 0.88 ERN1 (0.41) ERN1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL9846472 0.81 ERN1 (0.36) ERN1THRBALDH1A1POLBRAB9A
SCHEMBL8125146 0.79 ERN1 (0.50) ERN1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL11025473 0.77 ALDH1A1 (0.40) THRBALDH1A1POLBHTTTDP1
SCHEMBL11023135 0.77 ALDH1A1 (0.47) THRBALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL11027638 0.76 THRB (0.42) THRBALDH1A1POLBSMN1; SMN2HTT
SCHEMBL11026162 0.74 ALDH1A1 (0.56) THRBALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL11027009 0.74 KMT2A (0.42) THRBALDH1A1POLBHTTTDP1
SCHEMBL9706985 0.73 ALDH1A1 (0.37) ALDH1A1POLBRAB9ASMN1; SMN2HTT
SCHEMBL11028007 0.73 THRB (0.42) THRBALDH1A1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed