SCHEMBL4631522

SCHEMBL4631522

CCCCC#CN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.42
PTPN7 P35236 5/20 0.40
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 4/20 0.34
RAB9A P51151 1/20 0.33
TRPM8 Q7Z2W7 3/20 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
SCHEMBL9807779 0.90 HMGCR (0.52) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL11680738 0.83 GRIK1 (0.31)
SCHEMBL4551760 0.73 EPHX2 (0.46) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL55033 0.73 TSHR (0.53) HMGCRPTPN7RECQLTDP1KDM4E
Bicarbonate SCHEMBL15967929 0.72 PTPN7 (0.60) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL10411791 0.71
SCHEMBL11854278 0.70 TSHR (0.50) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL20658149 0.69 TSHR (0.33) TSHR
SCHEMBL131292 0.69
SCHEMBL5166944 0.67

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
EP-1927889-A1 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
US-6558873-B1 Interlayer containing a compound capable of forming a complex with aluminum and a photopolymerizable photosensitive layer containing a photopolymerization initiator, an addition polymerizable compound capable of complexing with aluminum FUJI PHOTO FILM CO., LTD. (JP) 2003-05-06 US disclosed
EP-1091251-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed
US-4022832-A TRANQUILIZERS SANKYO COMPANY LIMITED (JA) 1977-05-10 US disclosed