SCHEMBL9581474

SCHEMBL9581474

CC(C)c1ccc2c(c1)[C@@H](N)[C@H](O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.37
▸ KCNE1 P15382 4/20 0.36
▸ KCNQ1 P51787 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ABCC9 O60706 1/20 0.33

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
SCHEMBL9581471 1.00 ABCB1 (0.37) ABCB1KCNE1KCNQ1KDM4EALDH1A1
SCHEMBL9581465 1.00 ABCB1 (0.37) ABCB1KCNE1KCNQ1KDM4EALDH1A1
SCHEMBL9197856 0.80 HTR1A (0.39) ABCB1KCNE1KCNQ1KDM4EGAA
SCHEMBL9197846 0.80 HTR1A (0.39) ABCB1KCNE1KCNQ1KDM4EGAA
SCHEMBL9197844 0.80 HTR1A (0.39) ABCB1KCNE1KCNQ1KDM4EGAA
SCHEMBL9358706 0.79 ABCB1 (0.46) ABCB1ABCC9
SCHEMBL9358694 0.79 ABCB1 (0.46) ABCB1ABCC9
SCHEMBL9358699 0.79 ABCB1 (0.46) ABCB1ABCC9
SCHEMBL9581706 0.79 IDO1 (0.40) ABCB1KCNE1KCNQ1KDM4EL3MBTL1
SCHEMBL9581711 0.79 IDO1 (0.40) ABCB1KCNE1KCNQ1KDM4EL3MBTL1

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
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
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