SCHEMBL9581764

SCHEMBL9581764

CC(C)c1ccc2c(c1)[C@H]1O[C@@H]1C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ ABCB1 P08183 16/20 0.37
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 1/20 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
SCHEMBL9581775 1.00 IDO1 (0.37) IDO1ABCB1LTB4RLTB4R2HPGD
SCHEMBL9581769 1.00 IDO1 (0.37) IDO1ABCB1LTB4RLTB4R2HPGD
SCHEMBL9789591 0.88 LTB4R (0.39) IDO1ABCB1LTB4RLTB4R2HPGD
SCHEMBL9789590 0.88 LTB4R (0.39) IDO1ABCB1LTB4RLTB4R2HPGD
SCHEMBL9789592 0.88 LTB4R (0.39) IDO1ABCB1LTB4RLTB4R2HPGD
SCHEMBL5868357 0.79 IDO1 (0.40) IDO1ABCB1
SCHEMBL5868353 0.79 IDO1 (0.40) IDO1ABCB1
SCHEMBL6274078 0.79 IDO1 (0.40) IDO1ABCB1
SCHEMBL8947007 0.78 IDO1 (0.36) IDO1ABCB1
SCHEMBL8947011 0.78 IDO1 (0.36) IDO1ABCB1

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 5 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
EP-0250077-A2 Pharmacologically active benzopyranes BEECHAM GROUP PLC (GB) 1987-12-23 — — EP disclosed
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