SCHEMBL6322728

SCHEMBL6322728

C=C(C)C(=O)OCCCOc1ccc(C2(c3ccc(OCCCOC(=O)C(=C)C)c(CCC)c3)c3ccccc3-c3ccccc32)cc1CCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.39
PPARA Q07869 10/20 0.39
TSHR P16473 2/20 0.37
PPARD Q03181 5/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL6321833 0.96 PPARG (0.36) PPARGPPARATSHRPPARDESR1
SCHEMBL4956473 0.93 TDP1 (0.37) PPARGPPARATSHRPOLBAPEX1
SCHEMBL15356213 0.92 TSHR (0.37) PPARGPPARATSHRPOLBAPEX1
SCHEMBL6324789 0.90 ESR1 (0.36) PPARGPPARAESR1ESR2
SCHEMBL4948908 0.90 ESR1 (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15356210 0.88 POLB (0.39) PPARGPPARATSHRPPARDPOLB
SCHEMBL6327945 0.86 ESR1 (0.39) PPARGPPARAPOLBESR1ESR2
SCHEMBL28295187 0.86 ESR1 (0.36) POLBAPEX1HTTTDP1ESR1
SCHEMBL2234170 0.85 ESR1 (0.45) PPARGPPARATSHRPPARDPOLB
SCHEMBL819025 0.84 ESR1 (0.39) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US disclosed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US disclosed
US-20050185232-A1 Volume hologram recording photosensitive composition and its use NIPPON PAINT CO., LTD. (JP) 2005-08-25 US disclosed
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed