SCHEMBL10694928

SCHEMBL10694928

CC1(C)Oc2ccc(C#N)cc2C(n2ccc(O)cc2=O)C1OC=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.46
ABCC8 Q09428 2/20 0.46
KCNJ11 Q14654 2/20 0.46
KCNJ8 Q15842 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
ABCB1 P08183 7/20 0.46
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7269378 0.86 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314816 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314825 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7273811 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8077176 0.79 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10852038 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10852049 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10852034 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314837 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314842 0.77 ABCC9 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed