SCHEMBL26834873

SCHEMBL26834873

O=C(OCCC1CCCCC1)c1cc(I)cc(I)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRM5 P08912 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 5/20 0.37
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
EPHX1 P07099 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL26426644 0.87 PIM1 (0.35) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL26427846 0.85 HTR4 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21705302 0.81 L3MBTL1 (0.40) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL26426652 0.79 GPR119 (0.47) SCN9AKDM4E
SCHEMBL26426645 0.79 CHRM3 (0.43) CHRM3
SCHEMBL21705213 0.76 KMT2A (0.52) HTR4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11764814 0.76 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21705281 0.75 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1020868 0.75 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21705754 0.74 KMT2A (0.50) HTR4KDM4EMEN1ALDH1A1KMT2A

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-11835859-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-05 US disclosed