SCHEMBL30701397

SCHEMBL30701397

CCCCCCCCCC[S+]([O-])Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
DNM1 Q05193 5/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC22A1 O15245 1/20 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
SCHEMBL9248456 1.00
SCHEMBL29074323 1.00 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1
SCHEMBL27033085 1.00 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1
SCHEMBL6364555 1.00 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1
SCHEMBL1616141 0.97
SCHEMBL2901647 0.88
SCHEMBL8814930 0.82
Hexane SCHEMBL7134957 0.78 TSHR (0.50) TSHRTHRBALDH1A1CES2CES1
SCHEMBL10866350 0.78 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1
SCHEMBL11880617 0.78 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1

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-117222414-A Compounds for activating constant natural killer T-cells and methods for eliminating inflammatory senescent cells 脱落性治疗公司 2023-12-12 CN disclosed