SCHEMBL28258808

SCHEMBL28258808

O=C(Cc1ccccc1)OC1CC(O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STS P08842 8/20 0.48
CYP19A1 P11511 4/20 0.47
PAM P19021 1/20 0.47
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL5120138 0.89 CYP19A1 (0.52) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL13175813 0.83 CHRM2 (0.54) STS
SCHEMBL5049441 0.81 CYP19A1 (0.71) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL6761969 0.81 CYP19A1 (0.66) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL6105386 0.81 STS (0.46) ALDH1A1STSTSHR
SCHEMBL6105382 0.81 STS (0.46) ALDH1A1STSTSHR
SCHEMBL1301606 0.79 CYP19A1 (0.71) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL27895566 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL27820726 0.79 CYP19A1 (0.71) ALDH1A1MAPK1L3MBTL1STSCYP19A1
SCHEMBL24475293 0.79 STS (0.47) STS

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
CN-109071429-A Third pyridine sulfamide compound and its application method 正大天晴药业集团股份有限公司 2018-12-21 CN disclosed