SCHEMBL25545103

SCHEMBL25545103

CCCCCCCCCC(C)C(=O)OCCCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
NAAA Q02083 1/20 0.47
CA2 P00918 2/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
ACE2 Q9BYF1 1/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
MAPT P10636 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7217665 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223700 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL1627344 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7218790 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL20856911 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223773 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7224048 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL15294513 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7223667 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2
SCHEMBL7224539 0.93 CA1 (0.53) CA1NAAAEPHX1TSHRACE2

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-2023086893-A1 COMPOSITION AND METHODS FOR TREATMENT OF PRIMARY CILIARY DYSKINESIA TRANSLATE BIO, INC. (US) 2023-05-19 WO disclosed