SCHEMBL9680280

SCHEMBL9680280

COCCc1ccc(OCCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CYP2J2 P51589 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ ENPP2 Q13822 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2415919 0.82 ALDH1A1 (0.54) HRH3NPC1LMNAL3MBTL1
SCHEMBL9681731 0.81 HRH3 (0.43) HRH3NPC1RAB9AKCNH2FFAR1
SCHEMBL10671328 0.81 ALDH1A1 (0.51) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL9325253 0.81 LTA4H (0.55) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL10062559 0.80 NQO1 (0.58) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL3137971 0.79 LMNA (0.54) CYP2D6HRH3LMNAL3MBTL1LTA4H
SCHEMBL1344428 0.79 LMNA (0.50) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL7365831 0.78 HRH3 (0.43) HRH3NPC1RAB9AKCNH2FFAR1
SCHEMBL8612136 0.78 TAAR1 (0.53) —
SCHEMBL1338713 0.78 NR3C1 (0.44) NR3C1ADRB2ADRB1CYP2D6ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081144-A PYRAZOLEOXIME DERIVATIVE AND INSECTICIDE, ACARICIDE AND FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1992-01-14 — — US disclosed
EP-0391685-A1 Pyrazoleoxime derivatives and insecticides, acaricides and fungicides UBE INDUSTRIES, LTD. (JP) 1990-10-10 — — EP disclosed
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