SCHEMBL5096571

SCHEMBL5096571

Cc1sc2ccc(O)cc2c1C1=C(c2c(C)sc3ccc(O)cc23)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ CLK1 P49759 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PRKD1 Q15139 1/20 0.30
▸ PRKD2 Q9BZL6 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL5089766 0.94 ESR1 (0.36) CHEK1WEE1PTPN1ESR2
SCHEMBL2627660 0.88 ESR1 (0.39) ESR2
SCHEMBL5090816 0.79 L3MBTL1 (0.41) ICAM1SELECDK1MAPKAPK2PRKD1
SCHEMBL6232786 0.78 ROCK1 (0.38) PTPN1
SCHEMBL6232707 0.78 ESR1 (0.34) —
SCHEMBL29492999 0.78 GPR3 (0.39) PTPN1ALDH1A1LMNAMAPT
SCHEMBL392860 0.78 GPR3 (0.39) PTPN1ALDH1A1LMNAMAPT
SCHEMBL3859690 0.76 MAPT (0.43) ALDH1A1LMNAPOLBMAPT
SCHEMBL5091484 0.75 L3MBTL1 (0.38) ICAM1SELECDK1MAPKAPK2HCRTR1
SCHEMBL19361388 0.75 BCL2L1 (0.36) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794896-B2 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2010-09-14 — — US disclosed
US-7794896-B2 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2010-09-14 — — US disclosed
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 — — US disclosed
US-20070097469-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-05-03 — — US disclosed
US-20070097469-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-05-03 — — US disclosed
EP-1517977-B1 PHOTOCHROMIC LIQUID CRYSTALS QINETIQ LTD (GB) 2006-10-11 — — EP disclosed
US-20050258396-A1 Potochromic liquid crystals QINETIQ LIMITED (GB) 2005-11-24 — — US disclosed
EP-1517977-A1 PHOTOCHROMIC LIQUID CRYSTALS Qinetiq Limited (GB) 2005-03-30 — — EP disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 — — WO disclosed
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