SCHEMBL8009875

SCHEMBL8009875

CCOC(=O)C(C)c1cc(O)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 3/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.36
HPGDS O60760 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
PIN1 Q13526 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
SCHEMBL908718 0.85 TSHR (0.47) TSHRSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL5599861 0.84 HCAR2 (0.61) TSHRHCAR3HCAR2
SCHEMBL8010852 0.73 ALDH1A1 (0.39) TSHRSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL13962639 0.71 TSHR (0.39) TSHRSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL1456726 0.71 HPGDS (0.58) SMN1; SMN2LMNAALDH1A1KMT2AGAA
SCHEMBL1531224 0.70
SCHEMBL1531197 0.70 HCAR2 (0.42) LMNAHCAR3HCAR2
SCHEMBL6604753 0.70 TSHR (0.39) TSHRALDH1A1KMT2AGAAHPGD
SCHEMBL2657106 0.69
SCHEMBL27303235 0.69 HRH3 (0.46) TSHR

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed