SCHEMBL9840356

SCHEMBL9840356

CN(CCCCCC(=O)O)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4A O75164 3/20 0.48
KDM4C Q9H3R0 3/20 0.48
CNR2 P34972 1/20 0.45
MMP3 P08254 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL600069 0.79 GAA (0.58) MAPTRXFP1KDM4AKDM4CHDAC3
SCHEMBL5966751 0.78 HSP90AA1 (0.51) CNR2MMP3SMN1; SMN2HSP90AA1RORC
SCHEMBL7200359 0.78 HSP90AA1 (0.51) CNR2MMP3HSP90AA1RORC
SCHEMBL5070390 0.76 HPGD (0.49) MAPTCNR2MMP3HSP90AA1RORC
SCHEMBL12133562 0.76 MMP3 (0.55) CNR2MMP3HSP90AA1RORC
SCHEMBL7205122 0.75 KDM4A (0.76) MAPTRXFP1KDM4AKDM4CGAA
SCHEMBL10597177 0.74 HSP90AA1 (0.55) MAPTCNR2MMP3SMN1; SMN2HSP90AA1
SCHEMBL1007824 0.74 SIGMAR1 (0.70) MAPTRXFP1KDM4AKDM4CHDAC3
Adipic Acid SCHEMBL8149297 0.74 SIGMAR1 (0.74) MAPTRXFP1KDM4AKDM4CHDAC3
Adipic Acid SCHEMBL8150437 0.74 SIGMAR1 (0.74) MAPTRXFP1KDM4AKDM4CHDAC3

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-5055231-A Microbiocides, storage stability, cooling lubricant, non-adhesive REWO CHEMISCHE WERKE GMBH (DE) 1991-10-08 US claimed