SCHEMBL5716621

SCHEMBL5716621

CCCCCCNCC(C)CCC.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 4/20 0.33
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH4 P08319 2/20 0.32
ADH7 P40394 2/20 0.32
LMNA P02545 1/20 0.31
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL5715761 1.00 TSHR (0.38) TSHRALDH1A1ANPEPERAP2MEN1
SCHEMBL5715812 0.93 TSHR (0.34) TSHRALDH1A1
SCHEMBL5716579 0.89 ALDH1A1 (0.33) TSHRALDH1A1ANPEPERAP2
SCHEMBL16362458 0.86 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL18714894 0.86 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL17378045 0.86 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL9206506 0.86 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL5715814 0.85 KCNH2 (0.30)
SCHEMBL21078061 0.84 TSHR (0.52) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL5716022 0.84 EPHX2 (0.38) ANPEPERAP2MEN1KMT2ASMN1; SMN2

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
EP-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed