SCHEMBL20798239

SCHEMBL20798239

O=C(O)[C@H]1CC12CCC(F)(F)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
GRM4 Q14833 6/20 0.32
CYP2C19 P33261 4/20 0.32
CYP1A2 P05177 3/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GRM8 O00222 2/20 0.32
GRM6 O15303 2/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
SLC6A12 P48065 1/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL15114509 1.00 FFAR4 (0.34) FFAR4LMNAHPGDGRM4CYP2C19
SCHEMBL301224 0.88
SCHEMBL20985252 0.88
SCHEMBL20985243 0.88
SCHEMBL23435178 0.80 KMT2A (0.32) KMT2A
SCHEMBL16391188 0.80
SCHEMBL15116638 0.80 LMNA (0.32) LMNAHPGD
SCHEMBL26663704 0.79 GRM4 (0.33) GRM4CYP2C19CYP1A2ALOX15TDP1
SCHEMBL301094 0.78
SCHEMBL1634054 0.78 LMNA (0.39) LMNAHPGDGRM4CYP2C19CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022152853-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 WO disclosed
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 WO disclosed