SCHEMBL7918499

SCHEMBL7918499

CC(C)(CCC(C)(C)OOC(=O)c1ccccc1Cc1ccccc1)OOC(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL11129391 0.83 TSHR (0.56) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL28323802 0.80 LMNA (0.57) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL7921495 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP1A2CYP2C9
SCHEMBL846915 0.80 TSHR (0.46) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL6708934 0.79 ALDH1A1 (0.54) MAPTALDH1A1TSHRTDP1CYP1A2
SCHEMBL905244 0.77 ALDH1A1 (0.63) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL43962 0.76 TDP1 (0.72) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL27458878 0.76 ALDH1A1 (0.41) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL27717707 0.76 SCN1A (0.49) SCN1ASCN2ASCN3AMAPTALDH1A1
SCHEMBL6566314 0.75 LMNA (0.54) SCN1ASCN2ASCN3AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221931-B1 BLEND OF (METH)ACRYLATE MONOMER AND FILLER GC CORPORATION (JP) 2001-04-24 US disclosed
EP-0983762-A1 Dental restorative composition GC Corporation (JP) 2000-03-08 EP disclosed