SCHEMBL8084569

SCHEMBL8084569

CC1(C)Oc2ccc(CO)cc2C(n2ccccc2=O)C1(C)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8085204 0.84 KCNE1 (0.35)
SCHEMBL8085187 0.84 LMNA (0.39) LMNATP53HTTNPSR1
SCHEMBL8088478 0.82
SCHEMBL8088411 0.82 KDM4E (0.33) KMT2A
SCHEMBL7267195 0.81 ABCC9 (0.45) LMNA
SCHEMBL8084249 0.81 HIF1A (0.35) KMT2A
SCHEMBL8088453 0.81 F10 (0.33)
SCHEMBL8085139 0.81 TERT (0.33)
SCHEMBL8084985 0.81
SCHEMBL9148572 0.81

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 4 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