SCHEMBL20100216

SCHEMBL20100216

CC(C)(CC(Br)C(=O)O)C(=O)OCC(COC(=O)C(C)(C)CC(Br)C(=O)O)(COC(=O)C(C)(C)CC(Br)C(=O)O)COC(=O)C(C)(C)CC(Br)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MMP8 P22894 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
SCHEMBL25538504 0.95 MAPK1 (0.32) ALDH1A1TSHRMAPK1HIF1A
SCHEMBL13857020 0.94 MAPK1 (0.31) ALDH1A1TSHRMAPK1HIF1A
SCHEMBL20100213 0.83
SCHEMBL21734082 0.77 MMP8 (0.44) MAPK1HIF1AMMP8
SCHEMBL25538542 0.77 CHRM1 (0.38)
SCHEMBL17358191 0.77
SCHEMBL21056191 0.74 ALDH1A1 (0.44) ALDH1A1TSHRHIF1ALCKPPARD
SCHEMBL25538572 0.74 CHRM1 (0.35)
SCHEMBL26999328 0.73 MMP8 (0.34) MMP8
SCHEMBL25538511 0.72 ELANE (0.36) ALDH1A1TSHR

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 2 patents. 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
US-20180117538-A1 POLYACID-FUNCTIONALIZED POROUS MEMBRANES, RELATED METHODS, AND RELATED POLYACID POLYMERS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2018-05-03 US disclosed