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SCHEMBL22102724

SCHEMBL22102724

O=NCc1cc(CO)cc(OCc2cc(COc3cc(CO)cc(CO)c3)cc(OC/C=C\COc3cc(COc4cc(CO)cc(CO)c4)cc(COc4cc(CO)cc(CO)c4)c3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ PTPRF P10586 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 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
SCHEMBL16092516 0.87 GPBAR1 (0.40) TSHRSMN1; SMN2GPBAR1PTPRCPTPRF
SCHEMBL16092464 0.80 GPBAR1 (0.37) TSHRSMN1; SMN2GPBAR1
SCHEMBL17506714 0.75 ACHE (0.42) TSHR
SCHEMBL16092506 0.74 PRSS1 (0.33) PTPRCPTPRFPTPN1PRSS1PRSS2
SCHEMBL25871400 0.70 PRSS1 (0.31) PTPRCPTPRFPTPN1PRSS1PRSS2
SCHEMBL16089767 0.70 PRSS1 (0.31) PTPRCPTPRFPTPN1PRSS1PRSS2
SCHEMBL16089769 0.70 PRSS1 (0.31) PTPRCPTPRFPTPN1PRSS1PRSS2
SCHEMBL21691020 0.70 GPBAR1 (0.42) TSHRSMN1; SMN2GPBAR1PTPRCPTPRF
SCHEMBL20865066 0.68 SLC5A2 (0.31) —
SCHEMBL22733358 0.67 — —

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-20200190420-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-18 — — US disclosed
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