SCHEMBL6642374

SCHEMBL6642374

CCOc1ccc(B(O)O)c(OCC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ NQO1 P15559 1/20 0.34

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
SCHEMBL9196941 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL3790469 0.82 LIPE (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL425604 0.76 L3MBTL1 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL29353523 0.76 L3MBTL1 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL31332164 0.75 ESR1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL1838297 0.75 ESR1 (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL16139473 0.74 KDM4E (0.36) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL10017145 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL11371630 0.73 KDM4E (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL29187013 0.73 L3MBTL1 (0.33) ALDH1A1L3MBTL1TUBB1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818652-B Organic luminescent material containing aryl ester derivative, preparation method and application thereof 上海和辉光电股份有限公司 2023-08-22 — — CN disclosed
CN-110818652-A Organic luminescent material containing aryl ester derivative, preparation method and application thereof 上海和辉光电有限公司 2020-02-21 — — CN disclosed
EP-1373257-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-02 — — EP disclosed
WO-2002079197-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-10 — — WO disclosed
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