SCHEMBL29940609

SCHEMBL29940609

CCCCCCCCCCOC(=O)OOOOC(=O)OCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
EPHX1 P07099 1/20 0.53
TSHR P16473 3/20 0.52
HCAR2 Q8TDS4 1/20 0.48
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.47
FAAH O00519 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 6/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46

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
SCHEMBL9679733 1.00 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11090858 1.00 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL11013291 0.92 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL220325 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL477397 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2231663 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL261987 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL631624 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL3364144 0.91 NAAA (0.61) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL567924 0.91 ALDH1A1 (0.56) NAAAEPHX1TSHRHCAR2ALDH1A1

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
WO-2022197778-A1 CATECHOL CONTAINING POLYMER EMULSIONS AND METHODS OF PREPARATION THEREOF THE UNIVERSITY OF AKRON (US) 2022-09-22 WO disclosed