SCHEMBL27105237

SCHEMBL27105237

O=C(OC1C(OC(=O)c2ccco2)[C@H]2c3ccccc3[C@H]1c1ccccc12)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
KMT2A Q03164 9/20 0.49
MAPT P10636 2/20 0.49
PABPC1 P11940 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL27110342 0.85 PTPN2 (0.45) PTPN2PTPN1PTPN6PTPN11KMT2A
SCHEMBL27053406 0.85 PTPN2 (0.45) PTPN2PTPN1PTPN6PTPN11KMT2A
SCHEMBL24278560 0.83 PTPN2 (0.57) PTPN2PTPN1PTPN6PTPN11KMT2A
SCHEMBL26705241 0.78 PTPN1 (0.64) PTPN2PTPN1PTPN6PTPN11KMT2A
SCHEMBL24278634 0.73 PTPN2 (0.47) PTPN2PTPN1PTPN6PTPN11KMT2A
SCHEMBL27112727 0.73 F2 (0.50) KMT2AMAPTGAAALDH1A1TSHR
SCHEMBL25755479 0.73 F2 (0.50) KMT2AMAPTGAAALDH1A1TSHR
SCHEMBL27053512 0.73 F2 (0.50) KMT2AMAPTGAAALDH1A1TSHR
SCHEMBL6971542 0.72
SCHEMBL24278808 0.72 PTPN2 (0.56) PTPN2PTPN1PTPN6PTPN11KMT2A

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-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 US disclosed