SCHEMBL6656980

SCHEMBL6656980

CCCCCCCCOc1cccc(C2=CC=CCC2(F)c2cccc(OC(OCCCCC)[C@H](CC)OCCCCC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 1/20 0.33
SMPD1 P17405 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTNR1A P48039 1/20 0.32
PTPN11 Q06124 1/20 0.32
PLA2G4B P0C869 2/20 0.32
CYSLTR2 Q9NS75 3/20 0.31
CYSLTR1 Q9Y271 3/20 0.31
GGPS1 O95749 1/20 0.31
DHFR P00374 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
SCHEMBL6676834 0.90 KMT2A (0.35) FAAH
SCHEMBL6659103 0.82 TSHR (0.33) GRIN1GRIN2AGRIN2BTSHRFAAH
SCHEMBL9227421 0.82 TSHR (0.40) GRIN1GRIN2AGRIN2BTSHRSMPD1
SCHEMBL9226623 0.82 TSHR (0.40) GRIN1GRIN2AGRIN2BTSHRSMPD1
SCHEMBL9225272 0.81 CYP1A2 (0.38) GRIN1GRIN2AGRIN2BTSHRFAAH
SCHEMBL6657967 0.77 PTPN11 (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL6656879 0.77 PTPN11 (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL6657123 0.74 PDK2 (0.34) FAAHPTPN11
SCHEMBL9227583 0.74 TSHR (0.39) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL9223787 0.74 TSHR (0.39) TSHRSMPD1CYP1A2CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP claimed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP claimed
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed