SCHEMBL9865865

SCHEMBL9865865

CCCCC1(CCCC)Oc2ccc([N+](=O)[O-])cc2C(N)C1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 2/20 0.42
TLR3 O15455 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
AKR1B1 P15121 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
CACNA1C Q13936 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC10A2 Q12908 2/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9767527 1.00 ESPL1 (0.42) ESPL1TLR3SMN1; SMN2HPGDLMNA
SCHEMBL9767521 1.00 ESPL1 (0.42) ESPL1TLR3SMN1; SMN2HPGDLMNA
SCHEMBL9767103 0.88 TLR3 (0.39) ESPL1TLR3SMN1; SMN2LMNAHTT
SCHEMBL9767111 0.88 TLR3 (0.39) ESPL1TLR3SMN1; SMN2LMNAHTT
SCHEMBL9767097 0.88 TLR3 (0.39) ESPL1TLR3SMN1; SMN2LMNAHTT
SCHEMBL8135764 0.83 TLR3 (0.37) TLR3SMN1; SMN2LMNAHTTAKR1B1
SCHEMBL9767136 0.81 AKR1B1 (0.40) TLR3SMN1; SMN2LMNAHTTAKR1B1
SCHEMBL9767134 0.81 AKR1B1 (0.40) TLR3SMN1; SMN2LMNAHTTAKR1B1
SCHEMBL9767130 0.81 AKR1B1 (0.40) TLR3SMN1; SMN2LMNAHTTAKR1B1
SCHEMBL9767647 0.80 ESPL1 (0.43) ESPL1TLR3SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed