SCHEMBL18973684

SCHEMBL18973684

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1Br)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.52
▸ ELANE P08246 2/20 0.48
▸ PRTN3 P24158 2/20 0.46
▸ KLK1 P06870 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18973559 0.89 BTN3A1 (0.49) BTN3A1ELANEPRTN3KLK1MEN1
SCHEMBL18973549 0.89 BTN3A1 (0.60) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL24505391 0.89 BTN3A1 (0.60) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL18973565 0.87 BTN3A1 (0.48) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL18973571 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL22065167 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL22066289 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL18973681 0.85 BTN3A1 (0.53) BTN3A1ELANEPRTN3KLK1TP53
SCHEMBL18973553 0.85 BTN3A1 (0.48) BTN3A1ELANEPRTN3
SCHEMBL18973567 0.85 BTN3A1 (0.55) BTN3A1ELANEPRTN3KLK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017098252-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 NUCANA BIOMED LIMITED (GB) 2017-06-15 — — WO disclosed
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