SCHEMBL22667665

SCHEMBL22667665

C=CC(=O)OCCCCOC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C4CCC(C(=O)OCCCCOC(=O)C=C)CC4)CC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 5/20 0.42
ELANE P08246 2/20 0.42
THRB P10828 3/20 0.40
F2 P00734 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22667667 1.00 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL22700804 0.95 THRB (0.45) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL24595939 0.94 SMN1; SMN2 (0.40) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL13612609 0.94 TSHR (0.40) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL24196278 0.94 THRB (0.49) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL22667423 0.93 ELANE (0.42) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL19978546 0.92 HTT (0.45) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL24196576 0.92 ELANE (0.44) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL22667663 0.92 TSHR (0.42) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL24196285 0.91 THRB (0.49) HTTKMT2ASMN1; SMN2TDP1TSHR

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-20200362244-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2020-11-19 US disclosed