SCHEMBL11338877

SCHEMBL11338877

CC(=O)O[C@@H]1[C@H](NC(=O)OCc2ccccc2)[C@@H](O)O[C@H](CO)[C@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ LGALS8 O00214 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ NAAA Q02083 2/20 0.40
▸ HK1 P19367 1/20 0.39
▸ HK2 P52789 1/20 0.39

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
SCHEMBL11338875 1.00 LMNA (0.48) LMNAKMT2ALGALS8ALDH1A1CTSB
SCHEMBL10618215 0.90 LMNA (0.60) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL13466026 0.90 LMNA (0.60) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL12837364 0.90 LMNA (0.60) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL10618219 0.90 LMNA (0.60) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL11322337 0.87 LMNA (0.54) LMNAKMT2ALGALS8ALDH1A1CTSB
SCHEMBL11325557 0.87 LMNA (0.54) LMNAKMT2ALGALS8ALDH1A1CTSB
SCHEMBL20202240 0.82 HK1 (0.56) LMNAKMT2ALGALS8TSHRHK1
SCHEMBL20207081 0.82 HK1 (0.56) LMNAKMT2ALGALS8TSHRHK1
SCHEMBL10618179 0.82 LMNA (0.55) LMNAKMT2AALDH1A1CTSBCTSS

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
US-4251515-A ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA SUAMI T 1981-02-17 — — US disclosed
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