SCHEMBL9581711

SCHEMBL9581711

CC(C)c1ccc2c(c1)C(O)C(Br)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ ABCB1 P08183 11/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNE1 P15382 4/20 0.33
▸ KCNQ1 P51787 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32

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
SCHEMBL9581719 1.00 IDO1 (0.40) IDO1LTB4RLTB4R2ABCB1L3MBTL1
SCHEMBL9581706 1.00 IDO1 (0.40) IDO1LTB4RLTB4R2ABCB1L3MBTL1
SCHEMBL9146935 0.80 IDO1 (0.39) IDO1ABCB1L3MBTL1KCNE1KCNQ1
SCHEMBL9197769 0.80 IDO1 (0.39) IDO1ABCB1L3MBTL1KCNE1KCNQ1
SCHEMBL9197778 0.80 IDO1 (0.39) IDO1ABCB1L3MBTL1KCNE1KCNQ1
SCHEMBL9581474 0.79 ABCB1 (0.37) ABCB1L3MBTL1KCNE1KCNQ1KDM4E
SCHEMBL9581465 0.79 ABCB1 (0.37) ABCB1L3MBTL1KCNE1KCNQ1KDM4E
SCHEMBL9581471 0.79 ABCB1 (0.37) ABCB1L3MBTL1KCNE1KCNQ1KDM4E
SCHEMBL8794829 0.78 IDO1 (0.38) IDO1ABCB1L3MBTL1KCNE1KCNQ1
SCHEMBL8946876 0.78 IDO1 (0.38) IDO1ABCB1L3MBTL1KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210234-A Benzopyran intermediates BEECHAM GROUP P.L.C. (GB) 1993-05-11 — — US claimed
US-5210234-A Benzopyran intermediates BEECHAM GROUP P.L.C. (GB) 1993-05-11 — — US disclosed
EP-0250077-B1 PHARMACOLOGICALLY ACTIVE BENZOPYRANES BEECHAM GROUP PLC (GB) 1992-01-02 — — EP disclosed
US-5075460-A Hypotensive agents BEECHAM GROUP PLC (GB) 1991-12-24 — — US disclosed
US-4943582-A Active compounds BEECHAM GROUP P.L.C. (GB) 1990-07-24 — — US disclosed
EP-0250077-A2 Pharmacologically active benzopyranes BEECHAM GROUP PLC (GB) 1987-12-23 — — EP disclosed
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