SCHEMBL25538536

SCHEMBL25538536

CN(C)CCCOC(=O)C(Br)CC(C)(C)C(=O)Oc1cc(OC(=O)C(C)(C)CC(Br)C(=O)OCCN(C)C)cc(OC(=O)C(C)(C)CC(Br)C(=O)OCCN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CHRM1 P11229 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM3 P20309 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 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
SCHEMBL20100215 0.78
SCHEMBL13873975 0.76 NPC1 (0.39) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL25538542 0.76 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM3SMN1; SMN2
SCHEMBL25538511 0.73 ELANE (0.36) ALDH1A1LMNATSHRCYP2C19
SCHEMBL20100224 0.73 CHRM1 (0.31) ALDH1A1CHRM1CHRM2CHRM4CHRM3
SCHEMBL25538572 0.73 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL26338964 0.64 CHRM1 (0.46) ALDH1A1CHRM1CHRM2CHRM4CHRM3
SCHEMBL3373432 0.63 CHRM2 (0.52) ALDH1A1CHRM1CHRM2CHRM4CHRM3
SCHEMBL12193379 0.63 CHRM2 (0.47) ALDH1A1CHRM1CHRM2CHRM4CHRM3
SCHEMBL27524458 0.63 ELANE (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A

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