SCHEMBL5952575

SCHEMBL5952575

CC(C)c1ccc(-c2c(OPOc3ccc(-c4ccccc4)c(-c4ccc(C(C)C)cc4C(C)C)c3-c3ccc(C(C)C)cc3C(C)C)ccc(-c3ccccc3)c2-c2ccc(C(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
PTGS1 P23219 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTGS2 P35354 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1900765 0.90 S1PR1 (0.34) S1PR1LMNAMAPTPTGS1MEN1
SCHEMBL5952922 0.78 CYP2D6 (0.33) S1PR1LMNAMAPTPTGS1TSHR
SCHEMBL8677464 0.78 LMNA (0.45) S1PR1LMNAMAPTPTGS1MEN1
SCHEMBL30497327 0.75 LMNA (0.36) S1PR1LMNAMAPTPTGS1MEN1
SCHEMBL1995967 0.72 RXRA (0.38) S1PR1LMNAMAPTMEN1KMT2A
SCHEMBL9174531 0.71 S1PR1 (0.33) S1PR1METAP2CYP2D6
SCHEMBL3293062 0.68 LMNA (0.45) LMNAMAPTPTGS1MEN1KMT2A
SCHEMBL28959799 0.68 METAP2 (0.40) LMNAMAPTPTGS1MEN1KMT2A
SCHEMBL1239931 0.68 LMNA (0.36) LMNA
SCHEMBL17810080 0.68 RXRA (0.38) LMNAMAPTPTGS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045555-B2 Regenerated resin composition TEIJIN CHEMICALS LTD. (JP) 2006-05-16 US disclosed
EP-1191065-B1 RECLAIMED RESIN COMPOSITION TEIJIN CHEMICALS LTD (JP) 2005-02-09 EP disclosed
US-20040138378-A1 Regenerated resin composition TEIJIN CHEMICALS LTD. (JP) 2004-07-15 US disclosed
US-20030065092-A1 Reclaimed resin composition TEIJIN CHEMICALS, LTD. (JP) 2003-04-03 US disclosed
EP-1191065-A1 RECLAIMED RESIN COMPOSITION Teijin Chemicals, Ltd. (JP) 2002-03-27 EP disclosed