SCHEMBL5090793

SCHEMBL5090793

CCCCCCC(O)COc1ccc(C(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
GAA P10253 1/20 0.61
PLA2G4B P0C869 1/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MGLL Q99685 1/20 0.53
MAPT P10636 6/20 0.53
S1PR1 P21453 1/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL6322342 1.00 TSHR (0.61) TSHRGAAPLA2G4BLMNAALDH1A1
SCHEMBL6071806 0.86 MAPT (0.69) TSHRGAAPLA2G4BLMNAALDH1A1
SCHEMBL9123718 0.85 MGLL (0.52) TSHRGAAPLA2G4BLMNAALDH1A1
SCHEMBL28335565 0.83 LMNA (0.69) TSHRGAALMNAALDH1A1MAPT
SCHEMBL588999 0.83 ABCB1 (0.63) TSHRPLA2G4BLMNAALDH1A1S1PR1
SCHEMBL588614 0.83 ABCB1 (0.63) TSHRPLA2G4BLMNAALDH1A1S1PR1
SCHEMBL6836270 0.83 ABCB1 (0.63) TSHRPLA2G4BLMNAALDH1A1S1PR1
SCHEMBL27870163 0.83 ABCB1 (0.63) TSHRPLA2G4BLMNAALDH1A1S1PR1
SCHEMBL258672 0.83 ABCB1 (0.63) TSHRPLA2G4BLMNAALDH1A1S1PR1
Methylparaben SCHEMBL8669426 0.82 CA1 (0.59) TSHRGAALMNAALDH1A1MGLL

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