SCHEMBL23736331

SCHEMBL23736331

CC(C)(O[C@@H](O)Cl)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.32
CYP2C19 P33261 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
SCHEMBL11661432 0.78 LMNA (0.34) THRBLMNACYP2C19
SCHEMBL22808111 0.78 THRB (0.32) THRBLMNACYP2C19
SCHEMBL8580964 0.75
SCHEMBL10136545 0.73 THRB (0.30) THRB
SCHEMBL7904519 0.63
SCHEMBL6748448 0.63
SCHEMBL11267078 0.63 MAPK1 (0.35)
SCHEMBL7347830 0.63
SCHEMBL8208648 0.60
SCHEMBL8487630 0.60

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
EP-3376870-B1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF AERIE PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed