SCHEMBL5608915

SCHEMBL5608915

CC(C)(C)c1cc(C(C)(C)C)c(OP(=O)(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HMGCR P04035 3/20 0.34
RXRA P19793 5/20 0.34
PPARG P37231 5/20 0.34
RARG P13631 3/20 0.34
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL29160570 0.90 POLB (0.36) ALDH1A1TSHRTDP1CYP3A4MAPK1
SCHEMBL8927511 0.84 GABRA1 (0.35) ALDH1A1MAPK1HMGCRRXRAPPARG
SCHEMBL31127742 0.83 RXRA (0.34) HMGCRRXRAPPARGRARGRARA
SCHEMBL3281055 0.82 POLB (0.33) ALDH1A1TSHRTDP1RXRAPPARG
SCHEMBL16301296 0.78 CYP1A2 (0.36) TSHRTDP1CYP3A4MAPK1CYP1A2
SCHEMBL3635251 0.78 NR5A2 (0.31) HMGCRRXRAPPARGRARGNR5A2
SCHEMBL2690018 0.78 HMGCR (0.41) TSHRHMGCRRXRAPPARGRARG
SCHEMBL31049510 0.77 HMGCR (0.35) ALDH1A1TSHRTDP1CYP3A4MAPK1
SCHEMBL12020484 0.77 HMGCR (0.40) TSHRHMGCRRXRAPPARGRARG
SCHEMBL29150410 0.77 CYP1A2 (0.45) TDP1RXRACYP1A2CYP2C19RXRB

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
EP-1412412-B1 MELT POLYCARBONATE EXHIBITING AN IMPROVED RESISTANCE TO HYDROLYSIS BAYER MATERIALSCIENCE AG (DE) 2007-02-21 EP disclosed
EP-1412412-A2 MELT POLYCARBONATE EXHIBITING AN IMPROVED RESISTANCE TO HYDROLYSIS Bayer MaterialScience AG (DE) 2004-04-28 EP disclosed
US-20030013788-A1 Melt polycarbonate with improved resistance to hydrolysis BAYER AKTIENGESELLSCHAF (DE) 2003-01-16 US disclosed
WO-2002077101-A2 MELT POLYCARBONATE EXHIBITING AN IMPROVED RESISTANCE TO HYDROLYSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed