SCHEMBL21396548

SCHEMBL21396548

CCOC(=O)C(C(=O)OC1CCC(C2CCCC(OC(=O)C(C(=O)OC3CCCCC3)S(=O)(=O)O)C2)C1)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 2/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM1 P11229 2/20 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
SCHEMBL21396709 0.88 EPHX1 (0.40) EPHX1MEN1KMT2ASMN1; SMN2NAAA
SCHEMBL21396652 0.79 CYP19A1 (0.41) EPHX1NAAACYP19A1L3MBTL1HTT
SCHEMBL21396546 0.74 LMNA (0.41) EPHX1NAAACYP19A1L3MBTL1HTT
SCHEMBL21396664 0.72 ALDH1A1 (0.40) EPHX1MEN1KMT2AALDH1A1CYP19A1
SCHEMBL21396816 0.70 HCRTR2 (0.31)
SCHEMBL2759378 0.70 CASP6 (0.34) EPHX1SMN1; SMN2NAAAALDH1A1CYP19A1
SCHEMBL21396666 0.70 HTT (0.39) EPHX1SMN1; SMN2NAAATSHRALDH1A1
SCHEMBL12198883 0.70 CHRM1 (0.33) SMN1; SMN2ALDH1A1CYP19A1CHRM1CHRM2
SCHEMBL1626651 0.69 CYP19A1 (0.36) SMN1; SMN2TSHRCYP19A1CYP2D6CHRM1
SCHEMBL1626652 0.69 CYP19A1 (0.36) SMN1; SMN2TSHRCYP19A1CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190294042-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed