SCHEMBL28181537

SCHEMBL28181537

CC[C@@]1(c2ccccc2O)C=CC=CC1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL28852304 0.85 KCNMA1 (0.33) MEN1GAAMAPTKMT2A
SCHEMBL28160044 0.84
SCHEMBL28180807 0.83 TRPA1 (0.36)
SCHEMBL28400894 0.74
SCHEMBL30777406 0.70
SCHEMBL28395938 0.67 CYP2D6 (0.33)
SCHEMBL7553960 0.67
SCHEMBL29148246 0.67 CTSB (0.32) MEN1GAAMAPTKMT2A
SCHEMBL28820150 0.66 OPRD1 (0.32) MEN1KMT2AOPRD1
SCHEMBL3344044 0.66 MEN1 (0.33) MEN1GAAMAPTKMT2AOPRD1

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
CN-107188771-A Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2017-09-22 CN disclosed