SCHEMBL20115928

SCHEMBL20115928

Fc1cc(CCCCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
MAOB P27338 2/20 0.47
RARB P10826 1/20 0.47
KIF11 P52732 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
GRM2 Q14416 1/20 0.44
RORC P51449 1/20 0.41
FDFT1 P37268 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39

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
SCHEMBL20116925 1.00 APP (0.49) APPMAOBRARBKIF11PSEN1
SCHEMBL10382745 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL16922741 0.93 APP (0.47) APPMAOBRARBKIF11PSEN1
SCHEMBL9809533 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL16922739 0.93 APP (0.47) APPMAOBRARBKIF11PSEN1
SCHEMBL9809471 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL9809587 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL10381411 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL9809543 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1
SCHEMBL9809540 0.93 RARB (0.57) APPMAOBRARBKIF11PSEN1

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
EP-2870218-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed