SCHEMBL28428191

SCHEMBL28428191

CCCCCCCCCCCCCCCCCCc1c(C)c(CCO)c(C)c(S(=O)(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
TYR P14679 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GPR35 Q9HC97 1/20 0.32
CCR5 P51681 3/20 0.32
TYMP P19971 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 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
Ammonia Solution, Strong SCHEMBL28009349 0.98 KDM4E (0.34) KDM4ELMNAALDH1A1HSD17B10MEN1
SCHEMBL28399760 0.86 PLA2G2A (0.35) ALDH1A1S1PR2S1PR1S1PR3TYR
Ammonia Solution, Strong SCHEMBL27651014 0.85 PLA2G2A (0.34) ALDH1A1S1PR2S1PR1S1PR3TYR
Ammonia Solution, Strong SCHEMBL28366379 0.85 PLA2G2A (0.34) ALDH1A1S1PR2S1PR1S1PR3TYR
Ammonia Solution, Strong SCHEMBL28024668 0.85 PLA2G2A (0.34) ALDH1A1S1PR2S1PR1S1PR3TYR
SCHEMBL28580437 0.81 TYR (0.39) KDM4ELMNAALDH1A1HSD17B10MEN1
Ammonia Solution, Strong SCHEMBL28159500 0.79 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL7787204 0.78 CA1 (0.38) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL149531 0.78 S1PR2 (0.41) KDM4ELMNAALDH1A1HSD17B10MEN1
SCHEMBL29666515 0.78 S1PR2 (0.41) KDM4ELMNAALDH1A1HSD17B10MEN1

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-111410762-A Laminated structural member 富士施乐株式会社 2020-07-14 CN disclosed