SCHEMBL28224263

SCHEMBL28224263

C=C(C(=O)OCC)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
AKR1C3 P42330 2/20 0.49
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL316956 0.83 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL28207843 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL4732477 0.82 AKR1C3 (0.53) ALDH1A1MAPTKMT2AAKR1C3TSHR
Ammonia Solution, Strong SCHEMBL27749588 0.82 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL28207844 0.81 MAPT (0.48) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL195278 0.80 TSHR (0.75) ALDH1A1MEN1KMT2AAKR1C3TSHR
SCHEMBL21065586 0.80 TSHR (0.53) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL29619268 0.80 TSHR (0.75) ALDH1A1MEN1KMT2AAKR1C3TSHR
SCHEMBL4732769 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL28458575 0.79 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ATSHR

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-108358831-A A kind of polysubstituted carbazole derivates and preparation method thereof 山东师范大学 2018-08-03 CN claimed