SCHEMBL9736573

SCHEMBL9736573

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(=O)n(C)n2)C1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 5/20 0.35
TLR3 O15455 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.32
ABCC9 O60706 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1B1 P15121 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8538165 0.92 MAPT (0.35) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9739194 0.92 MAPT (0.35) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL7331791 0.88 ABCC9 (0.40) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9735180 0.86 HTR2B (0.33) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL8138332 0.85 TLR3 (0.35) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL8138325 0.85 TLR3 (0.35) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL8138328 0.85 TLR3 (0.35) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9739833 0.84 MAPT (0.37) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9735341 0.84 ABCC9 (0.41) LMNAKMT2AMEN1ABCC9
SCHEMBL9735535 0.83 KMT2A (0.36) MAPTSMN1; SMN2LMNAHTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed