SCHEMBL5716258

SCHEMBL5716258

CCCC(C)CN(CF)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GPR88 Q9GZN0 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CETP P11597 1/20 0.32
AOC3 Q16853 1/20 0.32
CNR2 P34972 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLB P06746 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 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
SCHEMBL6799231 0.88 TSHR (0.33) TSHRCETP
SCHEMBL5716284 0.86 TSHR (0.48) TSHRCNR2NR1H2NR1H3ALDH1A1
SCHEMBL5716599 0.81 CNR2 (0.40) TSHRCNR2NR1H2NR1H3POLB
SCHEMBL6787880 0.77 CA12 (0.38) GPR88SMN1; SMN2FFAR1GPR84AOC3
SCHEMBL7612928 0.75 ALDH1A1 (0.40) TSHRAOC3CNR2ALDH1A1KDM4E
SCHEMBL6487412 0.75 AOC3 (0.40) TSHRGPR88SMN1; SMN2FFAR1GPR84
SCHEMBL5716254 0.74 ALDH1A1 (0.38) TSHRSMN1; SMN2CNR2ALDH1A1KDM4E
SCHEMBL6792547 0.74 TSHR (0.45) TSHRSMN1; SMN2CNR2NR1H2NR1H3
SCHEMBL7612924 0.72 TAAR1 (0.35) GPR88SMN1; SMN2POLBALDH1A1
SCHEMBL5715895 0.71 CNR2 (0.36) TSHRCNR2NR1H2NR1H3POLB

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