SCHEMBL25538542

SCHEMBL25538542

CN(C)CCOC(=O)C(Br)CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)CC(Br)C(=O)OCCN(C)C)(COC(=O)C(C)(C)CC(Br)C(=O)OCCN(C)C)COC(=O)C(C)(C)CC(Br)C(=O)OCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DNM1 Q05193 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL25538572 0.96 CHRM1 (0.35) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL20100224 0.90 CHRM1 (0.31) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL20100213 0.77
SCHEMBL20100219 0.77
SCHEMBL20100216 0.77 ALDH1A1 (0.34)
SCHEMBL25538536 0.76 ALDH1A1 (0.36) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL26338964 0.73 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL25538504 0.73 MAPK1 (0.32)
SCHEMBL13857020 0.72 MAPK1 (0.31)
SCHEMBL17358191 0.71

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-11654402-B2 Polyacid-functionalized porous membranes, related methods, and related polyacid polymers BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-05-23 US disclosed