SCHEMBL9737706

SCHEMBL9737706

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(OC2=CC(=O)CC2)C1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.35
HTT P42858 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
AKR1B1 P15121 2/20 0.34
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ABCC9 O60706 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
HIF1A Q16665 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
SCHEMBL8131590 0.85 TLR3 (0.35) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL8131592 0.85 TLR3 (0.35) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL8131594 0.85 TLR3 (0.35) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL9736148 0.85 XIAP (0.32) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9736978 0.82 ABCC9 (0.43) LMNAABCC9MEN1KMT2A
SCHEMBL9737241 0.82 CA12 (0.36) MAPTSMN1; SMN2LMNAABCC9MEN1
SCHEMBL9737027 0.82 AKR1B1 (0.34) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL9735568 0.80 MAPT (0.35) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL9735535 0.79 KMT2A (0.36) TLR3HTTMAPTSMN1; SMN2LMNA
SCHEMBL9737720 0.78 TLR3 (0.34) TLR3HTTMAPTSMN1; SMN2LMNA

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