SCHEMBL9006992

SCHEMBL9006992

C#Cc1ccc2c(c1)OC(C)(C)C(C)(C)C2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32
BACE1 P56817 2/20 0.31

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
SCHEMBL9737788 0.87
SCHEMBL9006983 0.76 BACE1 (0.37) BACE1
SCHEMBL5320647 0.71 RXRA (0.47)
SCHEMBL888447 0.71 TSHR (0.39)
SCHEMBL9006953 0.69 AKR1B1 (0.31)
SCHEMBL9007021 0.69 SLC6A4 (0.31) SLC6A4BACE1
SCHEMBL12478910 0.67 ALDH1A1 (0.61)
SCHEMBL5736909 0.66 AKR1B1 (0.35) BACE1
SCHEMBL433187 0.66 MAPT (0.45)
SCHEMBL4417328 0.66 BACE1 (0.37) BACE1

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-0571546-B1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 1996-10-16 EP disclosed
US-5346915-A Chromans and thiochromans with phenylethynyl substituents at the 7-position having retinold-like biological activity ALLERGAN, INC. (US) 1994-09-13 US disclosed
EP-0571546-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY. ALLERGAN INC (US) 1993-12-01 EP disclosed
WO-1992014725-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-09-03 WO disclosed