SCHEMBL9008909

SCHEMBL9008909

C=C(C)COCCOc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
MAPK1 P28482 3/20 0.56
LMNA P02545 3/20 0.56
CYP1A2 P05177 2/20 0.56
PGR P06401 2/20 0.56
SLC6A2 P23975 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
PDE4A P27815 1/20 0.56
HRH1 P35367 1/20 0.56
HTT P42858 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PDE4D Q08499 1/20 0.56
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL30887109 0.89 HPGD (0.69) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL320631 0.89 HPGD (0.69) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL12743862 0.86 LMNA (0.69) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL994136 0.85 HPGD (0.56) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL29384880 0.83 HPGD (0.59) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL93397 0.83 HPGD (0.59) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL8993674 0.83 HPGD (0.54) HPGDLMNACYP1A2PGRSLC6A2
SCHEMBL5028940 0.83 LMNA (0.66) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL241583 0.83 HPGD (0.64) HPGDMAPK1LMNACYP1A2PGR
SCHEMBL31264192 0.83 HPGD (0.64) HPGDMAPK1LMNACYP1A2PGR

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-0495130-B1 NOVEL FLUORORESIN AND COATING MATERIAL BASED THEREON ASAHI CHEMICAL IND (JP) 1996-10-30 EP disclosed
US-5283304-A Gloss, hardness, weatherability; room temperature vulcanization ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-02-01 US disclosed
EP-0495130-A1 NOVEL FLUORORESIN AND COATING MATERIAL BASED THEREON Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-07-22 EP disclosed