SCHEMBL11090591

SCHEMBL11090591

COc1ccccc1C(O)CNC(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.54
ADRB3 P13945 5/20 0.54
ADRB2 P07550 4/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.48
TP53 P04637 1/20 0.48
APOBEC3A P31941 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
Hydrochloric Acid SCHEMBL11092908 0.99 ADRB1 (0.54) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL11082263 0.89 ADRB2 (0.50) ADRB1ADRB3ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11092374 0.88 ADRB2 (0.49) ADRB1ADRB3ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11086014 0.86 ADRB2 (0.60) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL11092408 0.86 ADRB2 (0.55) ADRB1ADRB3ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11093672 0.85 ADRB2 (0.54) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL7152845 0.83 ADRB1 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7152844 0.83 ADRB1 (0.54) ADRB1ADRB3ADRB2
SCHEMBL11088887 0.83 ADRB1 (0.54) ADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL11084224 0.82 ADRB1 (0.53) ADRB1ADRB3ADRB2

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-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US claimed
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US disclosed