SCHEMBL21944779

SCHEMBL21944779

C=C(C)C(=O)OCC(O)Cn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.45
HBB P68871 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL18392623 1.00 ALDH1A1 (0.48) ALDH1A1TP53HBBSMN1; SMN2TSHR
SCHEMBL18392625 0.91 ALDH1A1 (0.40) ALDH1A1TP53HBBSMN1; SMN2TSHR
SCHEMBL1334775 0.87 TP53 (0.50) ALDH1A1TP53HBBSMN1; SMN2CYP3A4
SCHEMBL21944919 0.85 ALDH1A1 (0.46) ALDH1A1TP53HBBSMN1; SMN2TSHR
SCHEMBL21944850 0.82 TP53 (0.47) ALDH1A1TP53HBBSMN1; SMN2CYP2C19
SCHEMBL21944926 0.81 TP53 (0.46) TP53HBBSMN1; SMN2TSHR
SCHEMBL21945399 0.80 TP53 (0.45) TP53HBBSMN1; SMN2
SCHEMBL11292492 0.79 TSHR (0.42) ALDH1A1SMN1; SMN2TSHR
SCHEMBL17766682 0.79 ALDH1A1 (0.53) ALDH1A1TP53HBBSMN1; SMN2TSHR
SCHEMBL10337095 0.78 ALDH1A1 (0.40) ALDH1A1TSHR

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