SCHEMBL23529448

SCHEMBL23529448

O=C(O)CCc1scc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.46
BAZ2B Q9UIF8 1/20 0.45
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL25402123 0.76 HTT (0.46) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL2367517 0.75 TSHR (0.47) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL23091412 0.73 HTT (0.48) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL32665837 0.73 HTT (0.42) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL31404132 0.72 HTT (0.47) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL20954695 0.72 HTT (0.47) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL28938060 0.72 HTT (0.41) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL10275020 0.72 HTT (0.49) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL5015667 0.72 HTT (0.41) HTTBAZ2BTSHRHPGDNCOA1
SCHEMBL26844606 0.71 BAZ2B (0.61) HTTBAZ2BTSHRHPGDNCOA1

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-2021121174-A1 COMPOSITION, POLYMER FOR CAPACITOR, AND CAPACITOR 深圳新宙邦科技股份有限公司 2021-06-24 WO disclosed