SCHEMBL2905152

SCHEMBL2905152

CCCNCCCNCCCNCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 1/20 0.62
GLA P06280 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 1/20 0.59
PAOX Q6QHF9 1/20 0.52
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
SAT1 P21673 2/20 0.43
KDM1A O60341 4/20 0.41

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
SCHEMBL1276412 1.00 CYP2C19 (0.62) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL10704190 0.96 CYP2C19 (0.59) CYP2C19TSHRALDH1A1MEN1GLA
Hydrochloric Acid SCHEMBL9357588 0.96 CYP2C19 (0.59) CYP2C19TSHRALDH1A1MEN1GLA
Hydrochloric Acid SCHEMBL8027304 0.96 CYP2C19 (0.59) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL30744262 0.96 TSHR (0.69) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL10704618 0.96 CYP2C19 (0.59) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL7513630 0.96 TSHR (0.69) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL2639821 0.93 TSHR (0.65) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL5701157 0.93 TSHR (0.65) CYP2C19TSHRALDH1A1MEN1GLA
SCHEMBL6733972 0.93 TSHR (0.65) CYP2C19TSHRALDH1A1MEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896546-B1 DISPERSANTS AND COMPOSITIONS THEREOF LUBRIZOL LTD (GB) 2010-08-11 EP disclosed
US-7683120-B2 Dispersants and compositions thereof LUBRIZOL LIMITED (GB) 2010-03-23 US disclosed
US-20080207826-A1 Dispersants and Compositions Thereof LUBRIZOL LIMITED (GB) 2008-08-28 US disclosed
EP-0548155-B1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING & MFG (US) 1994-11-23 EP disclosed
EP-0548155-A1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES. MINNESOTA MINING & MFG (US) 1993-06-30 EP disclosed
US-5108556-A Electrochemically fluorinating a tertiary thioamide precursor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-28 US disclosed
WO-1992005142-A1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-02 WO disclosed