SCHEMBL21385129

SCHEMBL21385129

C=C(OCC1(CC)COC1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 3/20 0.33
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
GLO1 Q04760 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
SCHEMBL28031397 0.87 TSHR (0.43) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL21385260 0.87 THRB (0.37) TSHRMEN1KMT2AALDH1A1ATM
SCHEMBL17383697 0.81 TSHR (0.43) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL13374666 0.80 TSHR (0.42) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL156498 0.80 ALDH1A1 (0.42) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL17527097 0.80 ALDH1A1 (0.48) TSHRMEN1KMT2AALDH1A1ATM
SCHEMBL17115412 0.79 TSHR (0.41) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL1813100 0.77 TSHR (0.47) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL19074659 0.77 TSHR (0.40) TSHRMEN1KMT2APOLBHSD17B10
SCHEMBL13414858 0.76 MEN1 (0.40) TSHRMEN1KMT2APOLBHSD17B10

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
WO-2019182085-A1 PHOTOCHROMIC CURABLE COMPOSITION 株式会社トクヤマ 2019-09-26 WO disclosed