SCHEMBL28477146

SCHEMBL28477146

C=Cc1ccc(CC(S)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSC P53634 1/20 0.32
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30917973 0.78 ALDH1A1 (0.44) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL24146430 0.77 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL8384227 0.77 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL27413489 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL570118 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL29268616 0.73 ALDH1A1 (0.38) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL23902608 0.73 ALDH1A1 (0.38) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL3841177 0.73 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL9122735 0.73 TRPA1 (0.54) TDP1TSHRTRPA1CYP1A2
SCHEMBL164874 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTAS1R3TAS1R1

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-111393683-A Modified cationic microgel and preparation method and application thereof 广东科德环保科技股份有限公司 2020-07-10 CN disclosed