SCHEMBL9816896

SCHEMBL9816896

COc1cc(CC(C)NCC(O)c2ccccc2O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.48
ADRB1 P08588 3/20 0.48
ADRB3 P13945 2/20 0.48
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL7148280 0.88 ADRB1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL7148275 0.88 ADRB1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL11088831 0.88 ADRB1 (0.51) ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL11079962 0.83 ADRB1 (0.54) ADRB2ADRB1ADRB3
SCHEMBL11089018 0.82 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL7150271 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL7150274 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11089048 0.81 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL11083223 0.81 SLC22A3 (0.56) ADRB2ADRB1ADRB3
SCHEMBL7145339 0.81 ADRB2 (0.63) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106335-B1 PHARMACEUTICAL COMPOSITION AND A METHOD FOR ENHANCING THE ABSORPTION OF A PHARMACEUTICALLY ACTIVE COMPOUND Tanabe Seiyaku Co., Ltd. (JP) 1991-10-23 EP claimed
EP-0106335-B1 PHARMACEUTICAL COMPOSITION AND A METHOD FOR ENHANCING THE ABSORPTION OF A PHARMACEUTICALLY ACTIVE COMPOUND Tanabe Seiyaku Co., Ltd. (JP) 1991-10-23 EP disclosed
EP-0106335-A2 Pharmaceutical composition and a method for enhancing the absorption of a pharmaceutically active compound Tanabe Seiyaku Co., Ltd. (JP) 1984-04-25 EP disclosed