SCHEMBL20121198

SCHEMBL20121198

ClCCCCOc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCCCCOc1c(cccc1Cc1cccc(c1OCCCCCl)C3)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.34
▸ GSTA1 P08263 3/20 0.32
▸ GSTP1 P09211 3/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MTNR1A P48039 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
SCHEMBL18505803 0.96 CD69 (0.36) CD69GSTA1GSTP1CYP2D6TSHR
SCHEMBL20121197 0.94 SMN1; SMN2 (0.40) MTNR1A
SCHEMBL20121194 0.90 SMN1; SMN2 (0.42) CD69MTNR1A
SCHEMBL14093080 0.84 CD69 (0.34) CD69
SCHEMBL18505802 0.84 CD69 (0.36) CD69GSTA1GSTP1CYP2D6TSHR
SCHEMBL2626907 0.78 GSTA1 (0.43) GSTA1GSTP1MTNR1A
SCHEMBL2626909 0.78 GSTA1 (0.43) GSTA1GSTP1MTNR1A
SCHEMBL2626904 0.78 GSTA1 (0.43) GSTA1GSTP1MTNR1A
SCHEMBL20445405 0.77 — —
SCHEMBL20121193 0.77 NFE2L2 (0.32) CD69

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-9966157-B2 Solid-liquid process for extraction of radionuclides from waste solutions COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-05-08 — — US disclosed
Send feedback