SCHEMBL9739833

SCHEMBL9739833

COCC1(C)CC(Oc2ccc(=O)n(C)n2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TLR3 O15455 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 2/20 0.32
GAA P10253 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
AKR1B1 P15121 1/20 0.31
TERT O14746 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9741124 0.86 HTR2B (0.33) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL9736573 0.84 MAPT (0.36) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9740322 0.84 ABCB1 (0.39) LMNA
SCHEMBL9739194 0.83 MAPT (0.35) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9739212 0.83 IDO1 (0.35) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8538165 0.81 MAPT (0.35) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9735242 0.80 MAPT (0.33) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7331791 0.76 ABCC9 (0.40) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7332446 0.76 MAPT (0.33) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8138332 0.74 TLR3 (0.35) MAPTSMN1; SMN2LMNAHTTALDH1A1

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 1 patent. 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