SCHEMBL5952922

SCHEMBL5952922

CC(C)c1cccc(C(C)C)c1-c1c(OPOc2ccc(-c3ccccc3)c(-c3c(C(C)C)cccc3C(C)C)c2-c2c(C(C)C)cccc2C(C)C)ccc(-c2ccccc2)c1-c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1904397 0.89 CYP2D6 (0.34) CYP2D6P2RX3P2RX2GABRA1GABRG2
SCHEMBL5952575 0.78 S1PR1 (0.33) CYP2D6P2RX3P2RX2S1PR1KDM4E
SCHEMBL15940114 0.74 MAOA (0.41) P2RX3P2RX2GABRA1GABRG2GABRB3
SCHEMBL11314594 0.73 CA1 (0.43) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL1888008 0.72 RAB9A (0.38) ADORA3ADORA2AADORA1KDM4ENPC1
SCHEMBL30497352 0.72 GABRA1 (0.36) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL11326822 0.70 GCGR (0.37) GABRA1CA1CA2CA12CA9
SCHEMBL15034407 0.69 P2RX3 (0.45) P2RX3P2RX2GABRA1GABRG2GABRB3
SCHEMBL15833732 0.69 GABRA1 (0.48) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL9707200 0.69 PPARG (0.44) CA1CA2CA12CA9KDM4E

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