SCHEMBL21944852

SCHEMBL21944852

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
HBB P68871 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC18A3 Q16572 1/20 0.34
PRKCA P17252 2/20 0.31
DHFR P00374 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL21944778 0.87 TP53 (0.45) TP53HBBSMN1; SMN2
SCHEMBL21944853 0.84 TP53 (0.45) TP53HBBSMN1; SMN2PRKCADHFR
SCHEMBL21944923 0.83 TP53 (0.46) TP53HBBSMN1; SMN2
SCHEMBL24348825 0.82 TP53 (0.51) TP53HBBSMN1; SMN2DHFR
SCHEMBL9769823 0.76 TP53 (0.51) TP53HBBSMN1; SMN2DHFR
SCHEMBL1334775 0.75 TP53 (0.50) TP53HBBSMN1; SMN2DHFR
SCHEMBL10336913 0.75 TP53 (0.50) TP53HBBSMN1; SMN2DHFR
SCHEMBL21944919 0.75 ALDH1A1 (0.46) TP53HBBSMN1; SMN2
SCHEMBL11140304 0.74 SMN1; SMN2 (0.62) TP53HBBSMN1; SMN2DHFR
SCHEMBL11140364 0.74 SMN1; SMN2 (0.62) 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