SCHEMBL31463333

SCHEMBL31463333

C=CC(C)(C(C=O)c1ccc(Cl)cc1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
GPX4 P36969 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30
ADRB2 P07550 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
SCHEMBL11112508 0.73 FFAR2 (0.42) HPGDLMNATP53TSHRMAPK1
SCHEMBL9570777 0.67 TSHR (0.40) HPGDLMNATP53TSHRMAPK1
SCHEMBL27165050 0.63 ALDH1A1 (0.42) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL27357482 0.62 KMT2A (0.54) FBP1ALDH1A1MAPTTSHRMAPK1
SCHEMBL27821416 0.61 HSD17B10 (0.44) HPGDLMNATP53TSHRMAPK1
SCHEMBL264810 0.61 ADRB2 (0.46) FBP1ALDH1A1MAPTHPGDLMNA
SCHEMBL27372777 0.61 HSD17B10 (0.39) HPGDLMNATP53TSHRMAPK1
1,4-Dichlorobenzene SCHEMBL4397293 0.61 TSHR (0.61) FBP1ALDH1A1MAPTHPGDLMNA
SCHEMBL24723643 0.60 RIPK1 (0.35) ALDH1A1KDM4EMAPTHPGDLMNA
1,4-Dichlorobenzene SCHEMBL28182719 0.60 FBP1 (0.50) FBP1ALDH1A1MAPTLMNATSHR

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-119751203-A Synthetic method of substituent-containing naphthalene ring liquid crystal monomer 江苏广域化学有限公司 2025-04-04 CN disclosed