SCHEMBL7904335

SCHEMBL7904335

C=CC(=O)Cl.O=C(O)CNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 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
SCHEMBL19664261 0.81 ABCC4 (0.42) ALOX15HSD17B10ABCC4MAPTLMNA
SCHEMBL867200 0.81 LMNA (0.47) MAPTLMNATSHRALDH1A1TDP1
Formaldehyde SCHEMBL6118438 0.78 LMNA (0.44) ABCC4MAPTLMNATSHRNFKB1
SCHEMBL27023 0.78
SCHEMBL4816014 0.78 LMNA (0.50) MAPTLMNATSHRALDH1A1TDP1
SCHEMBL2563386 0.77
Water SCHEMBL9703549 0.74 LMNA (0.47) MAPTLMNATSHRALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL7262621 0.74 LMNA (0.47) MAPTLMNATSHRALDH1A1TDP1
SCHEMBL9393647 0.74 LMNA (0.47) MAPTLMNATSHRALDH1A1TDP1
SCHEMBL10627876 0.74 LMNA (0.47) MAPTLMNATSHRALDH1A1TDP1

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