SCHEMBL31246329

SCHEMBL31246329

CCCC(C)(C)C(C)(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
FDPS P14324 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL277242 0.81
SCHEMBL28368488 0.79 LMNA (0.32) LMNAHSD17B10TSHRTDP1CA1
Hydrochloric Acid SCHEMBL14895306 0.79 LMNA (0.46) LMNAHSD17B10FDPSALDH1A1TSHR
SCHEMBL6683540 0.78 KDM4E (0.33) LMNAHSD17B10ALDH1A1TDP1CYP3A4
SCHEMBL3724147 0.77 ALDH1A1 (0.36) LMNAHSD17B10FDPSALDH1A1TSHR
SCHEMBL28358698 0.76
Dimethylamine SCHEMBL27488363 0.75 LMNA (0.43) LMNAHSD17B10FDPSALDH1A1TSHR
SCHEMBL29057705 0.75 ALDH1A1 (0.35) LMNAHSD17B10FDPSALDH1A1TSHR
SCHEMBL4008032 0.74 LMNA (0.46) LMNAHSD17B10FDPSALDH1A1TSHR
SCHEMBL8621947 0.74 LMNA (0.30) LMNAKMT2A

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-119371422-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2025-01-28 CN disclosed
CN-114269744-B Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2024-10-18 CN disclosed