SCHEMBL21666040

SCHEMBL21666040

CC1(C)OB(c2ccc(C(F)F)cc2F)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
ESR2 Q92731 1/20 0.33
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32
AAK1 Q2M2I8 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL31138789 1.00 LPL (0.38) LPLLIPGESR2JAK2BTK
SCHEMBL19747926 0.87 LPL (0.36) LPLLIPGESR2JAK2BTK
SCHEMBL28033296 0.87 LPL (0.36) LPLLIPGESR2JAK2BTK
SCHEMBL252452 0.87 LPL (0.38) LPLLIPGESR2JAK2BTK
SCHEMBL15031655 0.83 LPL (0.34) LPLLIPGESR2JAK2BTK
SCHEMBL24456587 0.80 LPL (0.34) LPLLIPGESR2JAK2BTK
SCHEMBL29652819 0.80 LPL (0.34) LPLLIPGESR2JAK2BTK
SCHEMBL15010917 0.80 EGFR (0.36) LPLLIPGESR2AAK1
SCHEMBL29695359 0.80 EGFR (0.36) LPLLIPGESR2AAK1
SCHEMBL21042445 0.79 LIPG (0.50) LPLLIPGJAK2BTK

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-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 WO disclosed