SCHEMBL7312503

SCHEMBL7312503

O=Cc1c([N+](=O)[O-])ccc(Cl)c1OCCCCCC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
VCAM1 P19320 5/20 0.36
TDP1 Q9NUW8 1/20 0.34
PRSS1 P07477 2/20 0.33
ESR1 P03372 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FBP1 P09467 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
SCHEMBL7314481 0.91 FBP1 (0.38) ALDH1A1VCAM1TDP1MAPTKMT2A
Hydrochloric Acid SCHEMBL7312508 0.89 FBP1 (0.38) ALDH1A1VCAM1TDP1PRSS1MAPT
SCHEMBL7307845 0.87 MAPT (0.37) ALDH1A1MAPK1MAPTKDM4EKMT2A
SCHEMBL7314001 0.85 MAPT (0.41) ALDH1A1VCAM1TDP1ESR1LMNA
SCHEMBL7315792 0.82 FFAR4 (0.41) ALDH1A1VCAM1TDP1LMNAMAPT
SCHEMBL7317383 0.82 ALDH1A1 (0.39) ALDH1A1PRSS1LMNAMAPTKDM4E
SCHEMBL7309665 0.81 LMNA (0.43) ALDH1A1TDP1LMNAMAPK1KDM4E
SCHEMBL7317613 0.80 PTPN7 (0.32) ALDH1A1VCAM1LMNAMAPTSMN1; SMN2
SCHEMBL7312485 0.80 NPC1 (0.44) ALDH1A1PRSS1LMNAMAPK1MAPT
SCHEMBL7310516 0.79 RAB9A (0.37) ALDH1A1PRSS1LMNAMAPTNPC1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed