SCHEMBL25538511

SCHEMBL25538511

CC(C)(CC(Br)C(=O)O)C(=O)Oc1cc(OC(=O)C(C)(C)CC(Br)C(=O)O)cc(OC(=O)C(C)(C)CC(Br)C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.36
BCHE P06276 4/20 0.35
CYP2D6 P10635 2/20 0.35
ADRB2 P07550 1/20 0.35
ACHE P22303 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL20100211 0.83
SCHEMBL25538536 0.73 ALDH1A1 (0.36) LMNACYP2C19ALDH1A1TSHR
SCHEMBL20100216 0.72 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL21056191 0.72 ALDH1A1 (0.44) CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL13873975 0.71 NPC1 (0.39) ELANECYP2D6LMNACYP2C19ALDH1A1
SCHEMBL5597484 0.69 ELANE (0.45) ELANEBCHECYP2D6ADRB2ACHE
SCHEMBL25538504 0.69 MAPK1 (0.32) ALDH1A1TSHR
SCHEMBL9356331 0.68 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL13857020 0.68 MAPK1 (0.31) ALDH1A1TSHR
SCHEMBL6897321 0.67 ALDH1A1 (0.48) CYP2C19ALDH1A1TSHR

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