SCHEMBL8945320

SCHEMBL8945320

O=C(c1ccc(C2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.58
SRD5A2 P31213 2/20 0.56
SLC18A3 Q16572 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 3/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.50
FAAH O00519 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
AR P10275 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CES1 P23141 1/20 0.49

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
SCHEMBL2651147 0.88 SLC18A3 (0.60) PGRSLC18A3LMNAGAAPOLB
SCHEMBL1064109 0.87 SLC18A3 (0.62) PGRSLC18A3LMNAGAAPOLB
SCHEMBL341579 0.85 HDAC8 (0.63) SRD5A2L3MBTL1POLBKMT2AHAO1
SCHEMBL18516793 0.84 PGR (0.52) PGRSLC18A3LMNAGAAPOLB
SCHEMBL10254999 0.83 SLC18A3 (0.58) PGRSLC18A3LMNAGAAPOLB
SCHEMBL4742964 0.83 HDAC8 (0.66) SRD5A2LMNAL3MBTL1KMT2AHAO1
SCHEMBL11957021 0.81 FAAH (0.61) PGRSLC18A3LMNAGAAPOLB
SCHEMBL15055241 0.79 MEN1 (0.54) PGRSRD5A2SLC18A3LMNAGAA
SCHEMBL8945188 0.79 SLC18A3 (0.52) PGRSLC18A3LMNAGAAL3MBTL1
SCHEMBL1066991 0.79 SLC18A3 (0.57) PGRSLC18A3LMNAGAAPOLB

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
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed