SCHEMBL9199563

SCHEMBL9199563

Cn1cccc(C2c3cc(Br)ccc3OC(C)(C)C2O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KCNE1 P15382 4/20 0.33
KCNQ1 P51787 4/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9197878 0.86 ABCC9 (0.37) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL9197771 0.86 ABCC9 (0.36) ABCC9DDB1CRBNKCNE1KCNQ1
SCHEMBL9197583 0.84 ABCC9 (0.35) ABCC9DDB1CRBNKCNE1KCNQ1
SCHEMBL9192327 0.83 ABCC9 (0.54) ABCC9KCNE1KCNQ1ABCC8KCNJ11
SCHEMBL9198494 0.83 ABCC9 (0.44) ABCC9DDB1CRBNLMNAL3MBTL1
SCHEMBL9200125 0.82 ABCC9 (0.36) ABCC9DDB1CRBNL3MBTL1
SCHEMBL9199615 0.82 ABCB1 (0.39) ABCC9KCNE1KCNQ1LMNA
SCHEMBL9195764 0.81 RAB9A (0.37) CYP1A2CYP2C19
SCHEMBL9194966 0.81 ABCC9 (0.35) ABCC9DDB1CRBNKCNE1KCNQ1
SCHEMBL9197134 0.81 ABCC9 (0.38) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406656-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1995-01-11 EP disclosed
US-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed
EP-0406656-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-09 EP disclosed