SCHEMBL3174341

SCHEMBL3174341

Cc1ccc([C+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.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 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
KIF11 P52732 2/20 0.33
P2RX1 P51575 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR1 O14842 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31

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
SCHEMBL134407 0.82 ALDH1A1 (0.41) KIF11P2RX1GAAALDH1A1
SCHEMBL4264056 0.79 CTSL (0.38) NFE2L2CTSLCTSBRAPGEF4KIF11
Toluene SCHEMBL6239727 0.79 TSHR (0.41) NFE2L2RAPGEF4KIF11P2RX1ALDH1A1
Toluene SCHEMBL6538388 0.79 TSHR (0.41) NFE2L2RAPGEF4KIF11P2RX1ALDH1A1
SCHEMBL21729414 0.77 RAPGEF4 (0.44) RAPGEF4KIF11P2RX1TMPRSS4MAPT
SCHEMBL41567 0.77 CES2 (0.44) RAPGEF4KIF11MAPTALDH1A1TDP1
SCHEMBL25968108 0.76 RAPGEF4 (0.43) RAPGEF4P2RX1TMPRSS4MAPTIKBKB
SCHEMBL19668955 0.76 RAPGEF4 (0.43) RAPGEF4P2RX1TMPRSS4MAPTIKBKB
SCHEMBL19645280 0.75 RAPGEF4 (0.41) NFE2L2RAPGEF4KIF11MAPT
SCHEMBL30509222 0.75 CES2 (0.39) RAPGEF4KIF11MAPTALDH1A1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084563-B2 Cyclic olefin addition copolymer, process for production thereof, and retardation film obtained from the copolymer JSR CORPORATION (JP) 2011-12-27 US disclosed
US-20100021707-A1 CYCLIC OLEFIN ADDITION COPOLYMER, METHOD FOR PRODUCING THE SAME, AND RETARDATION FILM OBTAINED FROM THE COPOLYMER JSR CORPORATION (JP) 2010-01-28 US disclosed
US-20090292088-A1 PROCESS FOR PRODUCTION OF CYCLIC OLEFIN ADDITION POLYMER JSR CORPORATION (JP) 2009-11-26 US disclosed
US-7482412-B2 Process for manufacturing cycloolefin addition polymer JSR CORPORATION (JP) 2009-01-27 US disclosed
US-20080085979-A1 PROCESS FOR MANUFACTURING CYCLOOLEFIN ADDITION POLYMER JSR CORPORATION (JP) 2008-04-10 US disclosed