SCHEMBL8085328

SCHEMBL8085328

CC1=C(n2cc(O)ccc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.36
MALT1 Q9UDY8 1/20 0.35
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
TDP2 O95551 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 4/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL8077233 0.87 ABCC9 (0.40) ABCC9MALT1ABCB1CASP3
SCHEMBL7267033 0.87 MALT1 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8090111 0.86 RARA (0.36) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8085086 0.86 MALT1 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL7276803 0.85 DRD2 (0.37) ABCC9CYP2C19KDM4E
SCHEMBL8084525 0.84 ABCC9 (0.40) ABCC9MALT1MAPTABCB1
SCHEMBL7267575 0.82 ABCC9 (0.37) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8077075 0.82 ABCC9 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8085063 0.80 CA9 (0.35) MALT1MAPTLMNACASP3
SCHEMBL8077046 0.80 ABCC9 (0.39) ABCC9MALT1ABCC8KCNJ11KCNJ8

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