SCHEMBL9737221

SCHEMBL9737221

CC1(C)Oc2ccc(C#N)cc2C(OC2=CC(=O)CC2)=C1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.35
ABCB1 P08183 5/20 0.33
ABCC9 O60706 4/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.33
BACE1 P56817 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL9734492 0.83 MALT1 (0.35) MALT1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9736303 0.79 MALT1 (0.36) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL9737646 0.77 SCN8A (0.33) MALT1ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9733219 0.77 LMNA (0.32) MALT1ABCB1ABCC9LMNACYP3A4
SCHEMBL9735734 0.74 MALT1 (0.35) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL9739182 0.71 ABCC9 (0.46) MALT1ABCB1ABCC9ABCC8KCNJ11
SCHEMBL9369702 0.69 ABCC9 (0.35) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9734213 0.67 PBRM1 (0.33) MALT1
SCHEMBL9874277 0.66 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31060528 0.66 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed