SCHEMBL16902819

SCHEMBL16902819

Oc1ccc(CC2CCC(Cc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.49
GRIN2D O15399 3/20 0.49
GRIN3B O60391 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2C Q14957 3/20 0.49
GRIN3A Q8TCU5 3/20 0.49
ESR1 P03372 7/20 0.48
ESR2 Q92731 7/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL14734507 1.00 GRIN2B (0.49) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL20727175 0.91 ESR2 (0.50) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL12290753 0.91 ESR1 (0.50) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL386761 0.89 P4HB (0.49) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL18594867 0.89 P4HB (0.49) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL2948678 0.85 GBA1 (0.66) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL10546238 0.85 GRIN2B (0.43) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
Hydrochloric Acid SCHEMBL1006327 0.83 GBA1 (0.63) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL4364820 0.83 ESR2 (0.53) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL13279296 0.80 GRIN2B (0.50) GRIN2BGRIN2DGRIN3BADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed