SCHEMBL9751833

SCHEMBL9751833

CCCCOc1c(F)cccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CCNE2 O96020 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCND2 P30279 2/20 0.41
▸ CCND3 P30281 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ FAAH O00519 7/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3984741 0.84 L3MBTL1 (0.40) SCN8ALIPGALDH1A1L3MBTL1MEN1
SCHEMBL29956129 0.84 L3MBTL1 (0.40) SCN8ALIPGALDH1A1L3MBTL1MEN1
SCHEMBL15295256 0.84 L3MBTL1 (0.44) SCN8ACCNB2CCNE2CDK1CDK4
SCHEMBL3786211 0.81 CYP1A2 (0.47) LIPGALDH1A1MEN1LMNAKMT2A
SCHEMBL3316363 0.80 THRA (0.42) LIPGALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3982711 0.80 KDM4E (0.45) LIPGALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3781870 0.80 CYP1A2 (0.50) LIPGALDH1A1LMNALTA4H
SCHEMBL12648400 0.79 CCNB2 (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL15295179 0.78 L3MBTL1 (0.47) SCN8ACCNB2CCNE2CDK1CDK4
SCHEMBL12648399 0.77 L3MBTL1 (0.51) FAAHL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453503-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES. SECR DEFENCE BRIT (GB) 1991-10-30 — — EP disclosed
WO-1990008119-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-07-26 — — WO disclosed
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