SCHEMBL8075478

SCHEMBL8075478

CC(=O)OC1(C)C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ABCC9 O60706 9/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 8/20 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
SCHEMBL8182508 0.87 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7267195 0.85 ABCC9 (0.45) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8183683 0.81 ABCC9 (0.42) ABCC9CYP3A4ABCC8KCNJ11KCNJ8
SCHEMBL7276260 0.77 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8084602 0.77 ABCC9 (0.51) KDM4EABCC9CYP3A4ALOX15ABCC8
SCHEMBL9736924 0.77 ABCC9 (0.40) ABCC9CYP3A4ALOX15ABCC8KCNJ11
SCHEMBL8088417 0.77 ABCC9 (0.45) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8084225 0.76 ABCC9 (0.38) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9147968 0.76 ABCB1 (0.38) KDM4EABCC9CYP3A4ALOX15ABCC8
SCHEMBL8077176 0.76 ABCC9 (0.38) KDM4EABCC9ABCC8KCNJ11KCNJ8

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-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-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed