SCHEMBL9467932

SCHEMBL9467932

CCCCCCCCC#CCC#CCC#CCSCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PTPN7 P35236 5/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
BLM P54132 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HMGCR P04035 3/20 0.46
EPHX2 P34913 4/20 0.38
PTGS2 P35354 1/20 0.37
TP53 P04637 2/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL6560229 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6559624 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560559 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560232 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL7139739 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL7135999 0.87 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL7135940 0.85 PTPN7 (0.62) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560234 0.85 PTPN7 (0.62) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6559580 0.84 PTPN7 (0.60) RECQLTDP1PTPN7POLBMAPT
SCHEMBL9467992 0.82 RECQL (0.49) RECQLTDP1PTPN7POLBMAPT

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
US-5268494-A Compound containing conjugated triple bonds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1993-12-07 US disclosed
US-5151534-A Antiallergens, antiinflammatory agents or skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1992-09-29 US disclosed