SCHEMBL13129394

SCHEMBL13129394

O=C(COc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1OCC(=O)OCc1ccc4ccc5cccc6ccc1c4c56)C3)C2)OCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CD69 Q07108 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LGALS1 P09382 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ FAAH O00519 1/20 0.30

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
SCHEMBL13129396 0.75 CD69 (0.44) ALDH1A1CD69LGALS1
SCHEMBL13129398 0.74 CD69 (0.69) KDM4EALDH1A1CD69KMT2ALGALS1
SCHEMBL21969019 0.68 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22827986 0.68 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1801991 0.68 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9280541 0.68 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL17226137 0.68 KMT2A (0.48) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL18505803 0.66 CD69 (0.36) CD69POLBCYP2D6
SCHEMBL5044109 0.66 KMT2A (0.48) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9883394 0.65 KMT2A (0.53) KDM4EALDH1A1KMT2AMEN1CYP1A2

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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