SCHEMBL4544027

SCHEMBL4544027

CCC(C)c1nc(Cl)c(C=O)n1Cc1ccccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.38
ADCY10 Q96PN6 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KLKB1 P03952 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
SCHEMBL9684086 0.85 SLC6A4 (0.46)
SCHEMBL4544029 0.80 AGTR1 (0.54)
SCHEMBL8439141 0.69 AGTR1 (0.53)
SCHEMBL9683640 0.69 GP6 (0.46)
SCHEMBL31362217 0.69 PTGDR2 (0.56) NPBWR1ALDH1A1LMNAPTGDR2
SCHEMBL417 0.67 SLC6A4 (0.46)
SCHEMBL156281 0.65 ALDH1A1 (0.66) ALDH1A1LMNAGAAMAPTHIF1A
SCHEMBL1786603 0.64 TSHR (0.52) ALDH1A1LMNAGAAMAPTKMT2A
Hydrochloric Acid SCHEMBL11601329 0.63 ALDH1A1 (0.55) ALDH1A1LMNAGAAMAPTHIF1A
SCHEMBL12032474 0.63 ALDH1A1 (0.58) NPBWR1ALDH1A1LMNAGAAMAPT

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
WO-2009084028-A2 IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE NEULAND LABORATORIES LTD (IN) 2009-07-09 WO disclosed