SCHEMBL8090525

SCHEMBL8090525

CCOC(=O)c1ccc2c(c1)C(n1ccc(O)cc1=O)=C(C)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 1/20 0.46
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
KMT2A Q03164 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 2/20 0.36
HSD17B2 P37059 1/20 0.36
PABPC1 P11940 2/20 0.35
APOBEC3A P31941 2/20 0.35
EIF4H Q15056 2/20 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
SCHEMBL8084285 0.90 RAB9A (0.39) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL8090664 0.87 MAPT (0.46) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL8088427 0.82 MAPT (0.33) ALDH1A1MAPT
SCHEMBL10695963 0.82 ALDH1A1 (0.41) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL8085332 0.80 ALDH1A1 (0.46) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL8085151 0.78 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8084217 0.76 ALOX5 (0.40) ALDH1A1MAPTRECQLKMT2AMEN1
SCHEMBL8088434 0.72 S100A4 (0.37) ALDH1A1MAPTMAPK1HPGDTDP1
SCHEMBL10695615 0.70 MAPT (0.40) ALDH1A1MAPTALOX15CA12CA1
SCHEMBL10696319 0.70 ALDH1A1 (0.41) ALDH1A1MAPTRECQLUSP2ALOX15

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