SCHEMBL4461791

SCHEMBL4461791

CC(C)(c1cccc(C(C)(C)c2ccc(O)c([N+](=O)[O-])c2)c1)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.57
ESR1 P03372 2/20 0.51
ESR2 Q92731 1/20 0.51
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL69884 0.93 GPR35 (0.65) GPR35ESR1MAPK1ALDH1A1TP53
SCHEMBL29666479 0.93 GPR35 (0.65) GPR35ESR1MAPK1ALDH1A1TP53
SCHEMBL4474221 0.92 GPR35 (0.62) GPR35ESR1ESR2MAPK1ALDH1A1
SCHEMBL17028799 0.92 GPR35 (0.62) GPR35ESR1ESR2MAPK1ALDH1A1
SCHEMBL445240 0.83 ALDH1A1 (0.56) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL28858893 0.79 MAPK1 (0.51) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL8375677 0.78 ESR1 (0.58) GPR35ESR1ESR2MAPK1ALDH1A1
SCHEMBL24711215 0.77 MAPK1 (0.50) GPR35ESR1ESR2MAPK1ALDH1A1
SCHEMBL4544532 0.77 MAPK1 (0.50) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL14676326 0.77 MAPK1 (0.50) GPR35MAPK1ALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 EP disclosed