SCHEMBL27636554

SCHEMBL27636554

CCC(=O)n1cc(O)c2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.38
KCNH2 Q12809 1/20 0.38
PTGER1 P34995 2/20 0.37
GAA P10253 1/20 0.37
OXER1 Q8TDS5 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL27617484 0.88 KCNH2 (0.43) KCNH2GAAOXER1LMNAL3MBTL1
SCHEMBL3554094 0.83 KMT2A (0.42) KMOKCNH2GAANPSR1
SCHEMBL27617492 0.78 PKM (0.48) OXER1LMNAL3MBTL1ALDH1A1NPSR1
SCHEMBL27617476 0.77 PIM1 (0.38) KCNH2TSHRHSD17B10PTGDR2
SCHEMBL27617465 0.73 AKR1C3 (0.40) KCNH2ALDH1A1PTGDR2
SCHEMBL27617460 0.73 LMNA (0.40) GAALMNAALDH1A1CYP1A2CYP2C9
SCHEMBL28757609 0.72 GAA (0.42) KMOGAALMNAL3MBTL1TSHR
SCHEMBL22441037 0.71 PTGDR2 (0.56) KMOAKR1B1PTGDR2
SCHEMBL28757608 0.71 KCNH2 (0.34) KCNH2TSHRAKR1B1PTGDR2
SCHEMBL2475378 0.70 NOTUM (0.45) KCNH2NPSR1

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
CN-1720227-A N-arylsulfonyl-3-aminoalkoxyindoles SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN disclosed