SCHEMBL8088847

SCHEMBL8088847

COC(=O)c1ccc2c(c1)C(n1cccc([N+](=O)[O-])c1=O)=C(C)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
CFTR P13569 1/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 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
SCHEMBL8077334 0.84 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL8084793 0.82 CFTR (0.39) MYCMAXCFTRKMT2ALMNA
SCHEMBL8084217 0.81 ALOX5 (0.40) CFTRKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL8076882 0.80 ABCC9 (0.37) KMT2AMEN1VCAM1RAB9AMAPT
SCHEMBL8084285 0.77 RAB9A (0.39) KMT2ALMNAMEN1SMN1; SMN2NPC1
SCHEMBL8085347 0.76 ADORA3 (0.36) KMT2ALMNAMEN1SMN1; SMN2NPC1
SCHEMBL8088675 0.76 RECQL (0.44) KMT2ALMNAMEN1SMN1; SMN2NPC1
SCHEMBL8084426 0.75 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1CYP3A4TDP1
SCHEMBL8090492 0.75 KDM4E (0.36) KMT2AMEN1ALDH1A1PKMHTT
SCHEMBL8085103 0.75 CFTR (0.41) CFTRKMT2ALMNAMEN1SMN1; SMN2

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