SCHEMBL28550892

SCHEMBL28550892

CCCCCCCCOC(=O)C(=CC#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 3/20 0.42
HPGD P15428 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL27826008 0.85 LMNA (0.46) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL11275265 0.83 ALDH1A1 (0.50) ALDH1A1LMNATP53KDM4ETDP1
SCHEMBL11275268 0.83 ALDH1A1 (0.50) ALDH1A1LMNATP53KDM4ETDP1
SCHEMBL28093685 0.81 LMNA (0.50) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL27566040 0.81 LMNA (0.50) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL9359884 0.80 LMNA (0.49) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL9359888 0.80 LMNA (0.49) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL28085775 0.79 TSHR (0.51) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL1123572 0.77 ALDH1A1 (0.65) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL5331475 0.77 ALDH1A1 (0.65) ALDH1A1LMNATSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966174-B Preparation method and application of capsule dispersion 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-107708663-B Liquid oil-dispersed cosmetic composition 株式会社爱茉莉太平洋 2021-04-06 CN disclosed