SCHEMBL4189746

SCHEMBL4189746

CC(=O)OC(C)(C)c1cccc(-c2cccc(C(C)(C)OC(C)=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
KIF11 P52732 2/20 0.41
PTPN5 P54829 4/20 0.39
PTPN1 P18031 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC5A1 P13866 2/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL305401 0.90 CYP3A4 (0.41) RXRARXRBLMNAGAACYP3A4
SCHEMBL26059368 0.84 CYP3A4 (0.53) KIF11LMNAGAACYP3A4CYP2C19
SCHEMBL24112628 0.82 SCN5A (0.40) KIF11LMNACYP2C19MAPTALDH1A1
SCHEMBL25563995 0.82 KCNN4 (0.50) PTPN1
SCHEMBL25564023 0.82 CES2 (0.49) LMNAGAACYP2C19MAPTALDH1A1
SCHEMBL42458 0.80 ALDH1A1 (0.56) CYP3A4CYP2C19HIF1AMAPTTDP1
SCHEMBL22323537 0.80 RXRA (0.50) RXRARXRBKIF11PTPN5PTPN1
SCHEMBL4070722 0.78 CYP2C9 (0.48) RXRARXRBKIF11PTPN5LMNA
SCHEMBL907993 0.78 GAA (0.39) RXRARXRBGAACYP3A4CYP2C19
SCHEMBL305335 0.78 ALDH1A1 (0.39) LMNAGAACYP3A4CYP2C19HIF1A

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-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 WO disclosed