SCHEMBL30468643

SCHEMBL30468643

Cc1cc(C)c(N(C)C)c(C)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.45
GPBAR1 Q8TDU6 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
TACR1 P25103 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL21729414 0.81 RAPGEF4 (0.44) RAPGEF4MAPTNOS1RXRARXRB
SCHEMBL29557826 0.81 RAPGEF4 (0.46) RAPGEF4CYP1A2CYP3A4MAPTMAPK1
SCHEMBL27959140 0.81 RAPGEF4 (0.46) RAPGEF4CYP1A2CYP3A4MAPTMAPK1
SCHEMBL25968108 0.80 RAPGEF4 (0.43) RAPGEF4MAPTNOS1RXRARXRB
SCHEMBL19668955 0.80 RAPGEF4 (0.43) RAPGEF4MAPTNOS1RXRARXRB
SCHEMBL19645280 0.79 RAPGEF4 (0.41) RAPGEF4MAPTNOS1PGK1PGK2
SCHEMBL217204 0.78 RAPGEF4 (0.47) RAPGEF4CYP1A2CYP3A4MAPTMAPK1
SCHEMBL26745203 0.77 RAPGEF4 (0.40) RAPGEF4MAPTMAPK1NOS1PGK1
SCHEMBL41567 0.77 CES2 (0.44) RAPGEF4CYP3A4MAPTMAPK1RXRA
SCHEMBL30509222 0.75 CES2 (0.39) RAPGEF4MAPTRXRARXRB

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
CN-116490528-A Polymer compositions containing cyclics obtained using transition metal bis (phenoxide) catalyst complexes and process for their preparation 埃克森美孚化学专利公司 2023-07-25 CN claimed
CN-116490528-A Polymer compositions containing cyclics obtained using transition metal bis (phenoxide) catalyst complexes and process for their preparation 埃克森美孚化学专利公司 2023-07-25 CN disclosed