SCHEMBL8090564

SCHEMBL8090564

CCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)C(C)(O)C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP11B2 P19099 1/20 0.38
DRD3 P35462 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL8085342 0.89 ALOX5 (0.39) ALDH1A1ALOX15SMN1; SMN2LMNACA12
SCHEMBL8090590 0.88 ALDH1A1 (0.41) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL8088411 0.86 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8088453 0.85 F10 (0.33) ALDH1A1DRD3SMN1; SMN2KDM4E
SCHEMBL8084985 0.82
SCHEMBL7267578 0.81 ABCC9 (0.42) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL8084569 0.79 KMT2A (0.32) TP53KMT2ALMNAHTT
SCHEMBL8085204 0.79 KCNE1 (0.35)
SCHEMBL8085187 0.79 LMNA (0.39) DRD3TP53SMN1; SMN2LMNAHTT
SCHEMBL8076906 0.79 ALDH1A1 (0.39) MAPTALDH1A1RECQLUSP2ALOX15

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