SCHEMBL28852304

SCHEMBL28852304

CC[C@@]1(c2c(C)cccc2O)C=CC=CC1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL28400894 0.72
SCHEMBL28395938 0.66 CYP2D6 (0.33)
SCHEMBL3448585 0.63
SCHEMBL3152612 0.60
SCHEMBL15643346 0.60
SCHEMBL29385945 0.58 TDP1 (0.72) KCNMA1ALDH1A1TDP1MEN1MAPT
SCHEMBL91306 0.58 TDP1 (0.72) KCNMA1ALDH1A1TDP1MEN1MAPT
SCHEMBL8645586 0.57
Orthocresol SCHEMBL28999718 0.57 HSD17B10 (0.50) KCNMA1ALDH1A1TDP1MEN1GAA
Orthocresol SCHEMBL27441554 0.57 HSD17B10 (0.56) KCNMA1ALDH1A1TDP1MEN1MAPT

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