SCHEMBL28413151

SCHEMBL28413151

O=C1C=CC=CC1/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
LMNA P02545 7/20 0.41
MAPT P10636 5/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
KMT2A Q03164 1/20 0.41
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAOB P27338 2/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
PLIN1 O60240 2/20 0.35
RECQL P46063 2/20 0.35
PLIN5 Q00G26 2/20 0.35

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
SCHEMBL29962540 1.00 KDM1A (0.42) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL8986269 0.79 KDM1A (0.36) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL30874319 0.79 KDM1A (0.38) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL28018299 0.79 KDM1A (0.38) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL27425145 0.79 KDM1A (0.38) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL28036686 0.78 KDM1A (0.35) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL27945379 0.78 KDM1A (0.35) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL27492463 0.78 CMA1 (0.38) LMNAMAPTHTTRAB9AMEN1
SCHEMBL7088421 0.76 KDM1A (0.36) KDM1ALMNAMAPTNFKB1NFKB2
SCHEMBL27882346 0.76 LMNA (0.36) KDM1ALMNAMAPTNFKB1NFKB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069378-B Perfume mixture containing ester and ketone 西姆莱斯股份公司 2022-10-11 CN disclosed
CN-110167667-B Microcapsules 科勒纸业公司 2022-09-20 CN disclosed
CN-108289819-B Anhydrous spot-removing composition containing phenolic compounds 杭州鼎智生物医药有限公司 2021-09-10 CN disclosed
CN-107787218-B Liquid cooling composition 西姆莱斯股份公司 2021-07-02 CN disclosed
CN-111918637-A Retinol substitute in skin treatment 西姆莱斯有限公司 2020-11-10 CN disclosed
CN-111132661-A Fruit flavor giving a yellow taste impression 西姆莱斯股份公司 2020-05-08 CN disclosed