SCHEMBL9356038

SCHEMBL9356038

CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)c(OC(c3c(C(C)(C)C)cc(C(=O)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
RARG P13631 1/20 0.31
PPARG P37231 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
SCHEMBL7638296 0.91 APEX1 (0.36) APEX1TRPV1
SCHEMBL10536720 0.81 CA12 (0.35) MAPTTDP1L3MBTL1EGFRSMN1; SMN2
SCHEMBL8026135 0.80 APEX1 (0.37) APEX1MAPTTDP1L3MBTL1MEN1
SCHEMBL379576 0.80 RXRA (0.33) NPSR1RXRARXRBRXRGHTT
SCHEMBL10576616 0.78 LMNA (0.34) MAPTTDP1L3MBTL1EGFRSMN1; SMN2
SCHEMBL997016 0.77 KDM4E (0.33) APEX1L3MBTL1SMN1; SMN2TRPV1CYP2C19
SCHEMBL1074119 0.76 RXRA (0.31) RXRARXRBRXRGCYP2C19RARG
SCHEMBL11655989 0.76 APEX1 (0.46) APEX1MAPTTDP1L3MBTL1
SCHEMBL29350333 0.75 APEX1 (0.50) APEX1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL76989 0.75 APEX1 (0.50) APEX1MAPTTDP1L3MBTL1SMN1; SMN2

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-0416321-B1 Crystalline polyolefin composition CHISSO CORP (JP) 1994-11-09 EP disclosed
US-5063264-A Molding materials CHISSO CORPORATION (JP) 1991-11-05 US disclosed
EP-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed