SCHEMBL21944853

SCHEMBL21944853

CCCC(=O)OC(CO)Cn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
HBB P68871 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
PRKCA P17252 8/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NLRP3 Q96P20 1/20 0.32
GAA P10253 1/20 0.31
DHFR P00374 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
SCHEMBL21944852 0.84 TP53 (0.50) TP53HBBSMN1; SMN2PRKCADHFR
SCHEMBL21944778 0.80 TP53 (0.45) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL21944923 0.79 TP53 (0.46) TP53HBBSMN1; SMN2
SCHEMBL24348825 0.78 TP53 (0.51) TP53HBBSMN1; SMN2DHFR
SCHEMBL21945399 0.78 TP53 (0.45) TP53HBBSMN1; SMN2MAPTNLRP3
SCHEMBL8544738 0.78 TP53 (0.45) TP53HBBSMN1; SMN2ALDH1A1HPGD
SCHEMBL8546480 0.78 TP53 (0.45) TP53HBBSMN1; SMN2ALDH1A1HPGD
SCHEMBL11140304 0.70 SMN1; SMN2 (0.62) TP53HBBSMN1; SMN2MAPTDHFR
SCHEMBL11140364 0.70 SMN1; SMN2 (0.62) TP53HBBSMN1; SMN2MAPTDHFR
SCHEMBL18373687 0.69 TP53 (0.60) TP53HBBSMN1; SMN2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11137682-B2 Photosensitive resin composition and cured film prepared therefrom ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2021-10-05 US disclosed
US-20200117088-A1 PHOTOSENSITIVE RESIN COMPOSITION AND CURED FILM PREPARED THEREFROM ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2020-04-16 US disclosed