SCHEMBL8084285

SCHEMBL8084285

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
CNR2 P34972 4/20 0.37
CNR1 P21554 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.36
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34

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
SCHEMBL8090525 0.90 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1RECQL
SCHEMBL8077225 0.88 HSD17B1 (0.35) MAPTPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL8084362 0.87 KDM4E (0.34) MAPTPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL8084217 0.86 ALOX5 (0.40) RAB9AMAPTMEN1POLBKMT2A
SCHEMBL8088427 0.84 MAPT (0.33) MAPTALDH1A1KDM4E
SCHEMBL10695615 0.80 MAPT (0.40) RAB9AMAPTMEN1POLBKMT2A
SCHEMBL8085151 0.80 MAPT (0.34) MAPTALDH1A1KDM4E
SCHEMBL8085086 0.80 MALT1 (0.35) MAPTCASP3KDM4ELMNACYP1A2
SCHEMBL8088431 0.79 CNR2 (0.37) RAB9AMAPTMEN1POLBKMT2A
SCHEMBL9377257 0.79 RAB9A (0.39) RAB9AMAPTMEN1POLBKMT2A

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