SCHEMBL5089716

SCHEMBL5089716

COc1ccc2c(C3=C(F)C(F)(F)C(F)(F)C3(F)F)c(C)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35
▸ TUBA3E Q6PEY2 2/20 0.35
▸ TUBA1A Q71U36 2/20 0.35

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
SCHEMBL5091528 0.92 TSHR (0.39) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5091484 0.87 L3MBTL1 (0.38) PRNPTSHRMAPK1PPARGHTT
SCHEMBL17212279 0.82 ALDH1A1 (0.37) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5090816 0.81 L3MBTL1 (0.41) TSHRPPARGHTTNCOA2NPSR1
SCHEMBL3855911 0.79 RELA (0.41) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9554353 0.79 ESR1 (0.33) APP
SCHEMBL6228560 0.78 PRNP (0.36) PRNPTSHRMAPK1PPARGHTT
SCHEMBL3855182 0.77 RELA (0.36) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19361388 0.75 BCL2L1 (0.36) MAPTLMNAGAA
SCHEMBL9404728 0.73 GAA (0.40) MAPK1MAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 — — 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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