SCHEMBL6892008

SCHEMBL6892008

CC(=O)Nc1ccc2c(c1)C1OC1C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL7048877 0.82 KDM4E (0.41) KDM4E
SCHEMBL7048882 0.82 KDM4E (0.41) KDM4E
SCHEMBL7693611 0.82 KDM4E (0.41) KDM4E
SCHEMBL11608418 0.78 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1MAPTMAOA
SCHEMBL11608411 0.78 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1MAPTMAOA
SCHEMBL11608423 0.78 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1MAPTMAOA
SCHEMBL6579318 0.78 NLRP3 (0.52) CYP2C19NPSR1MAPTMEN1KMT2A
SCHEMBL9443446 0.77 CYP1A2 (0.46) CYP1A2CYP2C19NPSR1MAPTMAOA
SCHEMBL9876495 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL11394655 0.76 ALOX5 (0.45) CA12CA9SMN1; SMN2NPC1RAB9A

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-6677371-B1 ANTIARRHYTHMIA AGENTS SUCH AS 6-ACETYLAMINO-3,4-DIHYDRO-2,2-DIMETHYL-4-(2-PHENYLETHOXY)-2H-1-BENZOPYRAN-3 -OL, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-13 — — US disclosed
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 — — US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 — — US disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 — — EP disclosed
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 — — US disclosed
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