SCHEMBL20121197

SCHEMBL20121197

ClCCCCOc1c2cccc1Cc1cccc3c1OCCOCCOc1ccccc1OCCCCCOc1c(cccc1Cc1cccc(c1OCCCCCl)C3)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTNR1A P48039 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 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
SCHEMBL20121194 0.96 SMN1; SMN2 (0.42) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL20121198 0.94 CD69 (0.34) MTNR1A
SCHEMBL18505803 0.90 CD69 (0.36) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626907 0.85 GSTA1 (0.43) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626904 0.85 GSTA1 (0.43) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626909 0.85 GSTA1 (0.43) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14093080 0.79 CD69 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL18505802 0.79 CD69 (0.36) MTNR1A
SCHEMBL2626906 0.79 SMN1; SMN2 (0.37) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626908 0.78 SMN1; SMN2 (0.36) SMN1; SMN2LMNACRHBPCRHR2HTT

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
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