SCHEMBL4416864

SCHEMBL4416864

CCCCCCCCCCCCCC#CCCC[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.56
HMGCR P04035 3/20 0.56
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 4/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.39

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
SCHEMBL1329998 1.00 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5061640 1.00 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5053145 0.97 PTPN7 (0.52) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5053118 0.95 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5053259 0.95 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5053208 0.92 PTPN7 (0.52) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5053097 0.90 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7140331 0.90 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5055925 0.90 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL5061790 0.90 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E

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
US-7498293-B2 Alkylaminosiloxanes as corrosion inhibitors CIBA SPECIALTY CHEMICALS CORP. (US) 2009-03-03 US disclosed
US-20050176596-A1 Alkylaminosiloxanes as corrosion inhibitors CIBA SPECIALTY CHEMICAL CORP. 2005-08-11 US disclosed
EP-1509534-A2 ALKYLAMINOSILOXANES AS CORROSION INHIBITORS Ciba SC Holding AG (CH) 2005-03-02 EP disclosed
WO-2003101947-A2 ALKYLAMINOSILOXANES AS CORROSION INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-11 WO disclosed