SCHEMBL28005648

SCHEMBL28005648

COc1ccc(/C=C2\CC/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
EGFR P00533 1/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 5/20 0.56
MAPK1 P28482 3/20 0.56
ATM Q13315 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
THRB P10828 1/20 0.56
TNF P01375 1/20 0.56
IL6 P05231 1/20 0.56
MIF P14174 2/20 0.54
MAOB P27338 1/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PLIN1 O60240 1/20 0.53

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
SCHEMBL28005646 0.82 MEN1 (0.56) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL28005275 0.81 NFE2L2 (0.65) POLBEGFRMEN1KMT2AMAPT
SCHEMBL28005280 0.79 ALDH1A1 (0.54) POLBEGFRMEN1KMT2AMAPT
SCHEMBL28005301 0.78 SMN1; SMN2 (0.50) MAPTCYP1A2CYP3A4CYP2C9MAOB
SCHEMBL27912172 0.77 MAPT (0.80) POLBEGFRMEN1KMT2AMAPT
SCHEMBL17077386 0.77 EGFR (0.90) POLBEGFRMEN1KMT2AMAPT
SCHEMBL17077384 0.77 EGFR (0.90) POLBEGFRMEN1KMT2AMAPT
SCHEMBL27930226 0.76 MAPT (0.74) POLBEGFRMEN1KMT2AMAPT
SCHEMBL28005399 0.76 HSD11B1 (0.69) EGFRMEN1KMT2AMAPTCYP1A2
SCHEMBL1523848 0.75 POLB (0.66) POLBEGFRMEN1KMT2AMAPT

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-104592032-A Asymmetric mono-carbonyl curcumin analogues having 2-nitro unilateral substitute and application of analogues UNIV WENZHOU MEDICAL 2015-05-06 CN disclosed