SCHEMBL13129398

SCHEMBL13129398

O=C(O)COc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1OCC(=O)O)C3)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 5/20 0.69
▸ ELANE P08246 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LGALS1 P09382 1/20 0.41
▸ ALOX15 P16050 1/20 0.37
▸ PTPN1 P18031 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL19570312 0.83 CD69 (1.00) CD69ELANEKMT2ALGALS1ALOX15
SCHEMBL13129396 0.80 CD69 (0.44) CD69LGALS1ALDH1A1TSHR
SCHEMBL18505803 0.76 CD69 (0.36) CD69PTPN1LMNATSHR
SCHEMBL18505802 0.75 CD69 (0.36) CD69PTPN1TSHR
SCHEMBL12856784 0.74 LMNA (0.35) CD69KDM4EALDH1A1PARP1LMNA
SCHEMBL13129394 0.74 KDM4E (0.38) CD69KMT2ALGALS1KDM4EALDH1A1
SCHEMBL14093080 0.73 CD69 (0.34) CD69KDM4EALDH1A1
SCHEMBL20121198 0.73 CD69 (0.34) CD69TSHR
SCHEMBL20121195 0.72 CD69 (0.33) CD69KDM4ETDP1GAATSHR
SCHEMBL12856706 0.72 SMN1; SMN2 (0.39) KMT2AALOX15KDM4EALDH1A1PARP1

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-20100237883-A1 ELECTRICAL DETECTION AND QUANTIFICATION OF CESIUM DERIVATIVES COMMISSARIAT A L' ENERGIE ATOMIQUE ET AUX ENGN ALT (FR) 2010-09-23 — — US disclosed
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