SCHEMBL9736993

SCHEMBL9736993

COCC1(C)Oc2ccc(C#N)cc2C(OC2CCC(=O)C2)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.42
KCNE1 P15382 4/20 0.41
KCNQ1 P51787 4/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
KCND3 Q9UK17 1/20 0.41
ABCB1 P08183 9/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL9736155 0.86 XIAP (0.32) MEN1KMT2A
SCHEMBL9737720 0.83 TLR3 (0.34) ABCC9LMNAMEN1KMT2A
SCHEMBL9737251 0.83 HSD17B10 (0.34) ABCC9LMNAMEN1KMT2AKDM4E
SCHEMBL9735704 0.82 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9736978 0.78 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735341 0.75 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9200740 0.74 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735728 0.74 CYP11B2 (0.33) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735910 0.74 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9876547 0.72 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed