SCHEMBL20864985

SCHEMBL20864985

C=C/C(=C\C)OCC(C)Oc1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL19061833 0.77 ADRB2 (0.32) SLC7A5ADRB2ADRB1ADRB3
SCHEMBL20864984 0.70 — —
SCHEMBL21691072 0.68 — —
SCHEMBL7058435 0.67 CA12 (0.47) SERPINE1SLC7A5TSHR
SCHEMBL28886336 0.65 CA12 (0.38) SERPINE1SLC7A5TSHR
SCHEMBL25899810 0.65 GCK (0.31) SLC7A5
SCHEMBL19049854 0.65 SLC7A5 (0.37) SERPINE1SLC7A5ADRB2ADRB1ADRB3
SCHEMBL2175603 0.65 GCK (0.47) —
SCHEMBL17286131 0.64 TSHR (0.44) TSHR
SCHEMBL18658364 0.63 GABRA1 (0.38) SERPINE1SLC7A5

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-20190100642-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRENSETED BY THE ADMINISTRATOR OF NASA 2019-04-04 — — US disclosed
Send feedback