SCHEMBL28793658

SCHEMBL28793658

CCCCCCCCCCCCCCC(CCCC)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 8/20 0.44
▸ DRD2 P14416 7/20 0.44
▸ OPRM1 P35372 3/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ HTR1A P08908 6/20 0.42
▸ DRD1 P21728 6/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR7 P34969 1/20 0.42

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
SCHEMBL27669180 0.98 DRD3 (0.46) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL27739296 0.95 DRD3 (0.43) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL8400500 0.92 HIF1A (0.45) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL28710729 0.86 NR1I2 (0.44) HTR2A
Acetic Acid SCHEMBL28883730 0.84 KYNU (0.41) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL5563575 0.84 HIF1A (0.50) DRD3OPRM1HIF1ALMNAGALR3
SCHEMBL10067194 0.83 ADRB1 (0.45) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL31545019 0.83 ADRB1 (0.45) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL12836370 0.83 ADRB1 (0.45) DRD3DRD2OPRM1OPRD1OPRK1
SCHEMBL8943735 0.83 ADRB1 (0.45) DRD3DRD2OPRM1OPRD1OPRK1

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
CN-102336424-B Method for separating sodium and aluminum in circulation lye of Bayer process INST PROCESS ENG CAS 2013-10-16 — — CN disclosed
CN-102336423-B Method for alumina separation in chromium salt clean production INST PROCESS ENG CAS 2013-07-10 — — CN disclosed
CN-102336423-A Method for alumina separation in chromium salt clean production INST PROCESS ENG CAS 2012-02-01 — — CN disclosed
CN-102336424-A Method for separating sodium and aluminum in circulation lye of Bayer process INST PROCESS ENG CAS 2012-02-01 — — CN disclosed
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