SCHEMBL6560229

SCHEMBL6560229

CCCCCCCCC#CCC#CCSCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
PTPN7 P35236 5/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
BLM P54132 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 1/20 0.60
MCL1 Q07820 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HMGCR P04035 6/20 0.54
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL7139739 1.00 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560559 1.00 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560232 1.00 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6559624 1.00 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL7135999 1.00 RECQL (0.63) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6560234 0.98 PTPN7 (0.62) RECQLTDP1PTPN7POLBMAPT
SCHEMBL7135940 0.98 PTPN7 (0.62) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6559580 0.97 PTPN7 (0.60) RECQLTDP1PTPN7POLBMAPT
SCHEMBL4661904 0.95 HMGCR (0.59) RECQLTDP1PTPN7POLBMAPT
SCHEMBL6561960 0.95 HMGCR (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044966-B1 (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use OREAL (FR) 2004-09-22 EP claimed
US-6511670-B1 Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators SOCIETE L'OREAL S.A. (FR) 2003-01-28 US claimed
US-6511670-B1 Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators SOCIETE L'OREAL S.A. (FR) 2003-01-28 US disclosed