SCHEMBL28857084

SCHEMBL28857084

CCCCCN(C)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.43
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
AKR1C3 P42330 1/20 0.42
NAAA Q02083 1/20 0.41
ABCB1 P08183 2/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28533640 0.87 POLB (0.44) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL7979557 0.85 CES2 (0.45) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL11690388 0.85 KDM4E (0.47) ALDH1A1TP53GAATSHRNPC1
SCHEMBL8585148 0.83 ALDH1A1 (0.52) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL5281391 0.82 POLB (0.48) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL10708630 0.81 KDM4E (0.49) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL10959342 0.81 ALDH1A1 (0.46) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL10959333 0.81 ALDH1A1 (0.46) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL28124829 0.80 TSHR (0.54) ALDH1A1TP53GAAMAPTTSHR
SCHEMBL27787293 0.80 ALDH1A1 (0.54) ALDH1A1TP53GAAMAPTTSHR

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-115151603-A Photopolymerizable composition, optical member formed therefrom, and display device 株式会社东进世美肯 2022-10-04 CN disclosed