SCHEMBL9735568

SCHEMBL9735568

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2cc[nH]c(=O)c2)C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TLR3 O15455 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 5/20 0.32
AKR1B1 P15121 2/20 0.32
CACNA1C Q13936 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCC9 O60706 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL9736733 0.85 IDO1 (0.34) SMN1; SMN2LMNAMAPK1
SCHEMBL9200740 0.83 ABCC9 (0.41) LMNAMEN1KMT2AABCC9
SCHEMBL9735584 0.83 ALOX5 (0.34) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9738453 0.81 LMNA (0.33) MAPTSMN1; SMN2LMNAHTTAKR1B1
SCHEMBL9735535 0.80 KMT2A (0.36) MAPTSMN1; SMN2LMNAHTTTLR3
SCHEMBL9737706 0.80 TLR3 (0.35) MAPTSMN1; SMN2LMNAHTTTLR3
SCHEMBL9734108 0.77 TDP2 (0.34) MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9736573 0.76 MAPT (0.36) MAPTSMN1; SMN2LMNAHTTTLR3
SCHEMBL7965091 0.75 TLR3 (0.40) MAPTSMN1; SMN2LMNAHTTTLR3
SCHEMBL9737720 0.74 TLR3 (0.34) MAPTSMN1; SMN2LMNAHTTTLR3

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