SCHEMBL31150554

SCHEMBL31150554

C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
OPRK1 P41145 5/20 0.43
OPRM1 P35372 6/20 0.36
HTR1A P08908 2/20 0.36
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
OPRD1 P41143 2/20 0.34
STK17B O94768 1/20 0.31

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
SCHEMBL5969356 1.00 MEN1 (1.00) MEN1KMT2ATDP1ALDH1A1KDM4E
Vinervine SCHEMBL30046744 0.85 MEN1 (0.74) MEN1KMT2ATDP1ALDH1A1KDM4E
Akuammicine SCHEMBL2685206 0.82 MEN1 (0.69) MEN1KMT2ATDP1ALDH1A1KDM4E
Akuammicine SCHEMBL29517606 0.82 MEN1 (0.69) MEN1KMT2ATDP1ALDH1A1KDM4E
Akuammicine SCHEMBL26667911 0.82 MEN1 (0.69) MEN1KMT2ATDP1ALDH1A1KDM4E
Akuammicine SCHEMBL23675922 0.82 MEN1 (0.69) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL26668918 0.71 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1KDM4E
Fluoride SCHEMBL2585596 0.71 ALDH1A1 (0.96) MEN1KMT2ATDP1ALDH1A1KDM4E
Sewarine SCHEMBL30047246 0.70 MEN1 (0.54) MEN1KMT2ATDP1ALDH1A1KDM4E
Sewarine SCHEMBL26668717 0.70 MEN1 (0.54) MEN1KMT2ATDP1ALDH1A1KDM4E

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-118615262-A Traditional Chinese medicine composition and patch for treating nasosinusitis and preparation method thereof 吉林省修悦生物科技有限公司 2024-09-10 CN disclosed