SCHEMBL5096563

SCHEMBL5096563

CCCCCC[C@@H](C)Oc1ccc(C(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G4B P0C869 6/20 0.43
RARB P10826 3/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PLA2G4A P47712 1/20 0.40

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
SCHEMBL10356272 1.00 GPR88 (0.46) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL9351233 0.96 RARB (0.48) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL10455055 0.96 RARB (0.48) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL13108738 0.88 TP53 (0.46) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL2857669 0.88 TP53 (0.46) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL10453858 0.88 KMT2A (0.43) GPR88PPARGPPARA
SCHEMBL10033597 0.87 GAA (0.50) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL5091731 0.87 TP53 (0.60) TP53TSHRALDH1A1PLA2G4BRARB
SCHEMBL14038264 0.87 GAA (0.50) GPR88TP53TSHRALDH1A1PLA2G4B
SCHEMBL13953004 0.87 TP53 (0.60) TP53TSHRALDH1A1PLA2G4BRARB

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