SCHEMBL21851266

SCHEMBL21851266

CCC(C)(C)Oc1ccc(C2(c3ccc(OC)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.59
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ SLC6A4 P31645 6/20 0.43
▸ SLC6A3 Q01959 6/20 0.43
▸ SLC6A2 P23975 2/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RORC P51449 1/20 0.37
▸ DCAF15 Q66K64 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL20671319 0.94 ADORA3 (0.65) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL19431650 0.94 ADORA3 (0.65) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL18944160 0.88 ADORA3 (0.59) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL20671282 0.87 ADORA3 (0.61) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL12205413 0.87 ADORA3 (0.61) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL19431838 0.85 ADORA3 (0.55) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL17146454 0.83 ADORA3 (0.54) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL19431649 0.82 ADORA3 (0.63) ADORA3SLC6A4SLC6A3SLC6A2PSMB1
SCHEMBL10112726 0.82 SLC6A4 (0.58) ADORA3GRIN1GRIN2AGRIN2BBACE1
SCHEMBL10086337 0.82 SLC6A4 (0.58) ADORA3GRIN1GRIN2AGRIN2BBACE1

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
EP-3632954-A1 AROMATIC POLYCARBONATE OLIGOMER SOLID Honshu Chemical Industry Co., Ltd. (JP) 2020-04-08 — — EP disclosed
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