SCHEMBL11210943

SCHEMBL11210943

CC(=O)CCCCCC#CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 5/20 0.48
▸ HMGCR P04035 3/20 0.48
▸ PAOX Q6QHF9 3/20 0.46
▸ CHRM1 P11229 1/20 0.41
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SELP P16109 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11287906 0.98 PTPN7 (0.45) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL14369459 0.83 PTPN7 (0.70) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL5129481 0.83 PTPN7 (0.70) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL11209029 0.81 PTPN7 (0.47) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL22555432 0.80 PTPN7 (0.67) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL11742683 0.79 PTPN7 (0.55) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL11739242 0.79 PTPN7 (0.55) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL11732673 0.79 PTPN7 (0.55) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL10999833 0.79 PTPN7 (0.55) PTPN7HMGCRPAOXCHRM1RECQL
SCHEMBL4655920 0.78 PTPN7 (0.64) PTPN7HMGCRRECQLTDP1EPHX2

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-0007180-B1 PROSTAGLANDIN ANALOGUE TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-03-30 — — EP disclosed
US-4294972-A ANTIULCER AGENTS, CARDIOVASCULAR DISORDERS BEECHAM GROUP LIMITED (GB) 1981-10-13 — — US disclosed
EP-0007180-A1 Prostaglandin analogue triazole derivatives, processes for their preparation and a pharmaceutical composition containing them BEECHAM GROUP PLC (GB) 1980-01-23 — — EP disclosed
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