SCHEMBL8345906

SCHEMBL8345906

CCCCNCCN(CCCC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 3/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
PAOX Q6QHF9 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
KDM5A P29375 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PHF8 Q9UPP1 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33

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
SCHEMBL8009387 1.00 TSHR (0.50) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL6142226 0.98 TSHR (0.48) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL9301514 0.95 TSHR (0.55) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL18244864 0.95 TSHR (0.55) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL1086951 0.95 TSHR (0.48) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL11749668 0.92 TSHR (0.52) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL17356135 0.92 TSHR (0.52) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL1087132 0.90 TSHR (0.55) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL6944067 0.89 TSHR (0.41) TSHRALDH1A1PAOXKDM5APHF8
SCHEMBL8346751 0.89 CYP2C19 (0.43) TSHRALDH1A1CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914072-A DISPERSANTS FOR SOLIDS; FOR USE IN PAINTS, INKS BASF AKTIENGESELLSCHAFT (DE) 1999-06-22 US disclosed
US-5863879-A POLYMER IS FORMED BY REACTING A POLYMER CONTAINING VINYLAMINE UNIT WITH COMPOUNDS CONTAINING ALDEHYDE OR KETO GROUPS AND OPTIONAL OTHER AMINE OR ALOCHOL CONTAINING COMPOUNDS SUCH AS AMINAL, HEMIAMINAL OR AMINAL ACETATE BASF AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
EP-0756618-B1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AG (DE) 1998-08-12 EP disclosed
EP-0759440-A2 Phosphoric acid esters BASF AKTIENGESELLSCHAFT (DE) 1997-02-26 EP disclosed
EP-0756618-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-02-05 EP disclosed
WO-1995029221-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed