SCHEMBL28429668

SCHEMBL28429668

CCCC(=O)c1cccc(C(N)=O)c1C(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 5/20 0.41
PARP1 P09874 3/20 0.41
CYP3A4 P08684 2/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL28494378 0.93 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL22123486 0.86 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10MAPTMEN1
SCHEMBL7761149 0.83 LMNA (0.49) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL22123487 0.82 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL28710582 0.80 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL10975649 0.77 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL3979654 0.76 HTT (0.69) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL28024920 0.76 PARP1 (0.38) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL28799549 0.73 HTT (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11836782 0.73 CES2 (0.57) ALDH1A1HPGDHSD17B10TSHRTDP1

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-111419784-A NMN-containing anti-wrinkle eye cream and preparation method and application thereof 深圳市玉莱漫科技发展有限公司 2020-07-17 CN disclosed