SCHEMBL9366165

SCHEMBL9366165

c1ccc(COC[C@@H]2C[C@H]3O[C@@H]23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.43
AKT1 P31749 1/20 0.43
AGTR2 P50052 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
PPM1B O75688 1/20 0.39
PDE4D Q08499 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
DRD1 P21728 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL10514784 1.00 TSHR (0.45) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL10517771 1.00 TSHR (0.45) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL9369568 1.00 TSHR (0.45) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL9416326 0.88 PDE4D (0.41) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL9416327 0.88 PDE4D (0.41) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL9416279 0.86 BCHE (0.47) TSHRTAAR1LMNAAKT1PDE4D
SCHEMBL9416282 0.86 BCHE (0.47) TSHRTAAR1LMNAAKT1PDE4D
SCHEMBL9416300 0.85 TSHR (0.44) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL14514260 0.85 TSHR (0.44) TSHRTAAR1LMNAAKT1AGTR2
SCHEMBL15369588 0.78 TSHR (0.40) TSHRTAAR1LMNAAKT1HRH4

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
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP disclosed
US-4918075-A Purinyl and pyrimidinyl cyclobutanes and their use as antiviral agents E. R. SQUIBB & SONS, INC. (US) 1990-04-17 US disclosed
US-4855466-A Purinyl cyclobutanes E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0322854-A1 Purinyl cyclobutanes E.R. Squibb & Sons, Inc. (US) 1989-07-05 EP disclosed