SCHEMBL9426682

SCHEMBL9426682

C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
PTGS1 P23219 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFD P00746 1/20 0.39
TOP1 P11387 1/20 0.38
SRD5A1 P18405 1/20 0.38
NR3C1 P04150 1/20 0.37

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
SCHEMBL27687896 0.86 PTGS1 (0.47) MAPK1PTGS1ALDH1A1GAARAB9A
SCHEMBL28078759 0.86 MAPK1 (0.42) MAPK1PTGS1ALDH1A1KDM4EGAA
SCHEMBL2918517 0.84 MAPK1 (0.56) MAPK1PTGS1ALDH1A1KDM4EGAA
SCHEMBL8673237 0.82 ACHE (0.44) MAPK1PTGS1ALDH1A1KDM4EGAA
SCHEMBL18010051 0.78 AKR1C3 (0.47) MAPK1ALDH1A1KDM4EGAARAB9A
SCHEMBL18010046 0.78 AKR1C3 (0.47) MAPK1ALDH1A1KDM4EGAARAB9A
SCHEMBL7711965 0.77 PTGS1 (0.41) PTGS1ALDH1A1KDM4EGAARAB9A
SCHEMBL9148761 0.77 CFD (0.41) PTGS1ALDH1A1KDM4EGAARAB9A
SCHEMBL1088271 0.76 HTT (0.47) PTGS1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL1812626 0.76 NFE2L2 (0.49) MAPK1PTGS1ALDH1A1KDM4EGAA

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
CN-114245792-A Compound, polymer, composition for film formation, method for pattern formation, method for forming insulating film, method for producing compound, and method for producing iodine-containing vinyl polymer and acetylated derivative thereof 三菱瓦斯化学株式会社 2022-03-25 CN disclosed
US-20190276575-A1 METHOD FOR PRODUCING RESIN AND METHOD FOR PRODUCING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2019-09-12 US disclosed
US-5324804-A Photoresist material based on polystyrenes CIBA-GEIGY CORPORATION (US) 1994-06-28 US disclosed