SCHEMBL9304584

SCHEMBL9304584

CS(=O)(=O)OCCCCN1COc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.35
MAOA P21397 3/20 0.33
MIF P14174 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
DRD2 P14416 1/20 0.32
DRD5 P21918 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL9302379 0.96 MAOB (0.36) MAOBTSHRKDM4EUSP2ALDH1A1
SCHEMBL8980658 0.91 PKM (0.37) MAOBTSHRALDH1A1PKMMAOA
SCHEMBL7386417 0.80 ALDH1A1 (0.46) TSHRKDM4EALDH1A1MIF
SCHEMBL9304172 0.80 KDM4E (0.34) MAOBTSHRKDM4EUSP2ALDH1A1
SCHEMBL9165703 0.80 PTGS2 (0.35) MAOBBCHEACHEHTR7
SCHEMBL8981116 0.80 RXFP1 (0.39) MAOBTSHRALDH1A1LMNA
SCHEMBL9809777 0.79 MAOB (0.40) MAOBKDM4EALDH1A1BCHEACHE
SCHEMBL13063351 0.78 PKM (0.38) TSHRPKMBCHEDRD2DRD5
SCHEMBL8980569 0.77 TDP1 (0.41) TSHRKDM4EALDH1A1LMNAPKM
SCHEMBL9173037 0.77 HTR7 (0.37) TSHRPKMDRD2DRD5HTR7

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-5308844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT, ANALGESIC, HYPOTENSIVE AGENT PIERRE FABRE MEDICAMENT (FR) 1994-05-03 US disclosed