SCHEMBL7323808

SCHEMBL7323808

CC1(C)Oc2ccc(C#N)cc2C(Oc2ccc(O)nn2)C1(C)OC=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ABCC9 O60706 7/20 0.36
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
KCND3 Q9UK17 1/20 0.35
ABCB1 P08183 7/20 0.35
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8084236 0.89 KDM4E (0.41) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL7273801 0.85 ABCC9 (0.39) KDM4EABCC9ABCB1
SCHEMBL7333740 0.82 KDM4E (0.36) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8085191 0.78 KCNE1 (0.38) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL7357760 0.78 ABCC9 (0.43) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8076898 0.78 KCNE1 (0.38) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8090688 0.77 KCNE1 (0.38) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8085394 0.77 ABCC9 (0.36) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8085269 0.77 ABCC9 (0.36) KDM4EABCC9KCNE1KCNQ1CYP1A2
SCHEMBL7355171 0.77 ABCC9 (0.46) KDM4EABCC9KCNE1KCNQ1CYP1A2

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-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed