SCHEMBL11808579

SCHEMBL11808579

Oc1cc(OC2CCCCC2)cc(OC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL19680522 0.89 PARP10 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15934217 0.88 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28109848 0.87 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28109846 0.84 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21945034 0.82 GPR35 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21261767 0.82 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2387108 0.80 POLB (0.57) POLBPDK2
SCHEMBL17933974 0.79 CA12 (0.54) PARP10POLBALDH1A1GRM5EPHX2
SCHEMBL1836444 0.78 PARP10 (0.52) PARP10ALDH1A1TSHRFURINS1PR1
SCHEMBL1402272 0.78 PARP10 (0.52) PARP10ALDH1A1TSHRFURINS1PR1

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-3998782-A AGAINST HEAT AKZO N.V. (NL) 1976-12-21 — — US disclosed
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