SCHEMBL7563922

SCHEMBL7563922

C=C(C)C(=O)OC(C)OCc1ccc(COC(C)OC(=O)C(=C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
ACACB O00763 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL632240 0.92 ALDH1A1 (0.46) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL29662115 0.90 TAS1R3 (0.35) TSHRALDH1A1ACACBMEN1CYP2D6
Methacrylic Acid SCHEMBL28158162 0.89 ALDH1A1 (0.44) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6384996 0.85 ALDH1A1 (0.42) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL14136428 0.82 L3MBTL1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL6385004 0.81 SMN1; SMN2 (0.44) TSHRALDH1A1KDM4E
SCHEMBL8394453 0.80 SLC1A3 (0.44) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL8733208 0.79 TSHR (0.41) TSHRCYP2C9
SCHEMBL9404696 0.78 SLC6A2 (0.32) TSHR
SCHEMBL3007166 0.78 ALDH1A1 (0.46) TSHRALDH1A1PPARAPPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940694-B1 Photochromic curable composition TOKUYAMA CORP (JP) 2002-08-14 EP disclosed
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US disclosed
EP-0940694-A1 Photochromic curable composition TOKUYAMA CORPORATION (JP) 1999-09-08 EP disclosed