SCHEMBL8662867

SCHEMBL8662867

COc1ccc2c(c1)OC(c1c(C)ccc(S(=O)(=O)O)c1C)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
ACHE P22303 4/20 0.39
SLC8A1 P32418 1/20 0.39
CA5A P35218 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ABCB11 O95342 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8666860 1.00 FFAR1 (0.39) FFAR1CA2CA1ACHESLC8A1
SCHEMBL27851553 0.84 PTGS2 (0.38) SLC8A1
SCHEMBL8845151 0.82 TP53 (0.36) SLC8A1
SCHEMBL8903397 0.82 POLB (0.41) SLC8A1
SCHEMBL8909995 0.82 SLC8A1 (0.35) SLC8A1
SCHEMBL6980329 0.74 STS (0.35)
SCHEMBL6495993 0.71 CA2 (0.48) FFAR1CA2CA1ACHECA5A
SCHEMBL2968481 0.69 ESR1 (0.72) FFAR1ABCB11
SCHEMBL27221220 0.69 CYP19A1 (0.58) FFAR1SLC8A1
SCHEMBL22882748 0.68 FFAR1 (0.49) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756521-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 US disclosed