SCHEMBL7904388

SCHEMBL7904388

C=CC(=O)Cl.CCN(CC)CC.Cc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL29385945 0.78 TDP1 (0.72) ALDH1A1TDP1TSHRGPR35HPGD
SCHEMBL91306 0.78 TDP1 (0.72) ALDH1A1TDP1TSHRGPR35HPGD
Acrylic Acid SCHEMBL7905472 0.74 ALDH1A1 (0.46) ALDH1A1TDP1TSHRGPR35HPGD
Phenol SCHEMBL11794878 0.70 ALDH1A1 (0.60) ALDH1A1TDP1TSHRGPR35HPGD
SCHEMBL15324734 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL30972329 0.68 GPR35 (0.50) ALDH1A1TDP1TSHRGPR35HPGD
SCHEMBL8920048 0.66 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL8920051 0.66 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL2555082 0.66 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHPGDPOLB
O-Xylene SCHEMBL28215204 0.66 TSHR (0.48) ALDH1A1TDP1TSHRHPGDMAPT

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
US-6203708-B1 FOR REMOVING SOLUBLE ELECTROLYTES FROM AN IONISING SOLVENT MONASH UNIVERSITY (AU) 2001-03-20 US claimed
EP-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP claimed
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP claimed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO claimed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP claimed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO claimed
US-6203708-B1 FOR REMOVING SOLUBLE ELECTROLYTES FROM AN IONISING SOLVENT MONASH UNIVERSITY (AU) 2001-03-20 US disclosed
EP-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP disclosed
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP disclosed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO disclosed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP disclosed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO disclosed