SCHEMBL7861585

SCHEMBL7861585

[CH2]CN(C(O)CC)C(O)CC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35

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
SCHEMBL7869148 0.78 TSHR (0.32) TSHR
SCHEMBL465382 0.75 TSHR (0.39) TSHR
SCHEMBL465304 0.75 TSHR (0.39) TSHR
SCHEMBL28399026 0.73 TSHR (0.37) TSHR
SCHEMBL465474 0.71 TSHR (0.35) TSHR
SCHEMBL2363878 0.70 TSHR (0.30) TSHR
SCHEMBL1641574 0.69
SCHEMBL9950758 0.69 TSHR (0.33) TSHR
SCHEMBL5056952 0.69 TSHR (0.40) TSHR
SCHEMBL11173115 0.69 MAPT (0.36) TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418099-B1 Process of preparation of 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RES TRIANGLE INST (US) 2001-12-19 EP disclosed
US-5340817-A Method of treating tumors with anti-tumor effective camptothecin compounds RESEARCH TRIANGLE INSTITUTE (US) 1994-08-23 US disclosed
US-5180722-A Topisomerase Inhibitors, Anticarcinogenic Agents RESEARCH TRIANGLE INSTITUTE (US) 1993-01-19 US disclosed
WO-1991004260-A2 10,11-METHYLENEDIOXY-20(RS)-CAMPTOTHECIN AND 10,11-METHYLENEDIOXY-20(S)-CAMPTOTHECIN ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1991-04-04 WO disclosed
EP-0418099-A2 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RESEARCH TRIANGLE INSTITUTE (US) 1991-03-20 EP disclosed