SCHEMBL28294175

SCHEMBL28294175

CC1COC(C)(C)O1.O=C(O)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.37
HCRTR1 O43613 12/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 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
Bicarbonate SCHEMBL7042448 0.91 HCRTR2 (0.36) HCRTR2HCRTR1L3MBTL1TMEM97SIGMAR1
SCHEMBL2480054 0.84
SCHEMBL2540229 0.84
SCHEMBL243965 0.84
SCHEMBL21933485 0.75 LMNA (0.32) LMNA
SCHEMBL16796676 0.74 MAPK1 (0.35) LMNA
SCHEMBL3767310 0.73 CA2 (0.46) CA2
SCHEMBL10390677 0.72 HCRTR2 (0.35) HCRTR2HCRTR1L3MBTL1TMEM97SIGMAR1
Fluoride SCHEMBL21933484 0.72 MAPK1 (0.34) LMNA
SCHEMBL22682158 0.72 CA2 (0.30) CA2

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
CN-208810029-U A kind of solid-bed break-up reaction unit 博容新材料(深圳)有限公司 2019-05-03 CN disclosed