SCHEMBL3696729

SCHEMBL3696729

C=CCCOc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.56
HSPB1 P04792 5/20 0.45
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
CYP19A1 P11511 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL1978052 0.85 S1PR4 (0.52) S1PR4HSPB1RAB9AALDH1A1HIF1A
SCHEMBL3702075 0.83 RAB9A (0.60) S1PR4RAB9AALDH1A1MAPTHPGD
SCHEMBL2090198 0.80 S1PR4 (0.56) S1PR4HSPB1RAB9AALDH1A1HIF1A
SCHEMBL13281347 0.80 KDM4E (0.47) RAB9AALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4402735 0.79 S1PR4 (0.62) S1PR4HSPB1RAB9AALDH1A1MAPT
SCHEMBL30672731 0.79 S1PR4 (0.66) S1PR4HSPB1RAB9AALDH1A1HIF1A
SCHEMBL22381243 0.79 S1PR4 (0.62) S1PR4HSPB1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3441990 0.79 S1PR4 (0.66) S1PR4HSPB1RAB9AALDH1A1HIF1A
SCHEMBL20786648 0.79 MAPT (0.45) S1PR4RAB9AALDH1A1MAPTHPGD
SCHEMBL13175608 0.78 S1PR4 (0.61) S1PR4HSPB1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415451-B2 Liquid crystal polyimide, liquid crystal resin composition containing same, and resin film for semiconductor elements MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-09 US disclosed
US-8415451-B2 Liquid crystal polyimide, liquid crystal resin composition containing same, and resin film for semiconductor elements MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-09 US disclosed
US-8415451-B2 Liquid crystal polyimide, liquid crystal resin composition containing same, and resin film for semiconductor elements MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-09 US disclosed
US-20120123050-A1 LIQUID CRYSTAL POLYIMIDE, LIQUID CRYSTAL RESIN COMPOSITION CONTAINING SAME, AND RESIN FILM FOR SEMICONDUCTOR ELEMENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-17 US disclosed
US-20120123050-A1 LIQUID CRYSTAL POLYIMIDE, LIQUID CRYSTAL RESIN COMPOSITION CONTAINING SAME, AND RESIN FILM FOR SEMICONDUCTOR ELEMENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-17 US disclosed
US-20120123050-A1 LIQUID CRYSTAL POLYIMIDE, LIQUID CRYSTAL RESIN COMPOSITION CONTAINING SAME, AND RESIN FILM FOR SEMICONDUCTOR ELEMENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-17 US disclosed
WO-2010131657-A1 LIQUID CRYSTAL POLYIMIDE, LIQUID CRYSTAL RESIN COMPOSITE CONTAINING SAME, AND RESIN FILM FOR SEMICONDUCTOR ELEMENTS 三菱化学株式会社 (JP) 2010-11-18 WO disclosed