SCHEMBL7948650

SCHEMBL7948650

CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)c(OCC(CO)(COP(O)O)COP(O)O)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
TRPV1 Q8NER1 1/20 0.34
RXRA P19793 4/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
EGFR P00533 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 3/20 0.32
RARG P13631 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7081344 0.83 TRPV1 (0.39) APEX1TRPV1RXRARXRBRXRG
SCHEMBL8928288 0.80 TRPV1 (0.39) APEX1TRPV1RXRARXRBRXRG
SCHEMBL7638296 0.80 APEX1 (0.36) APEX1TRPV1
SCHEMBL8026135 0.78 APEX1 (0.37) APEX1TRPV1RXRARXRBRXRG
SCHEMBL8023433 0.75 APEX1 (0.44) APEX1TRPV1RXRARXRBRXRG
SCHEMBL3106072 0.74 CYP2D6 (0.36) CYP2C19ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11655989 0.73 APEX1 (0.46) APEX1L3MBTL1MAPTTDP1
SCHEMBL28017837 0.73 TRPV1 (0.40) APEX1TRPV1RXRARXRBRXRG
SCHEMBL6458781 0.73 TRPV1 (0.41) APEX1TRPV1RXRARXRBRXRG
SCHEMBL76989 0.73 APEX1 (0.50) APEX1RXRARXRBRXRGCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed