SCHEMBL30140539

SCHEMBL30140539

O=S(=O)(O)c1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.66
PKLR P30613 4/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
HTT P42858 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MEP1B Q16820 1/20 0.53
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL2986914 1.00 PKM (0.66) PKMPKLRNPC1RAB9AHTT
Hydrochloric Acid SCHEMBL27738679 0.98 PKM (0.64) PKMPKLRNPC1RAB9AHTT
SCHEMBL4747547 0.92 PKM (0.57) PKMPKLRNPC1RAB9AHTT
Fluoride SCHEMBL27399354 0.90 PKM (0.54) PKMPKLRNPC1RAB9AHTT
SCHEMBL8188347 0.88 CA12 (0.54) PKMPKLRNPC1RAB9AMEN1
SCHEMBL2781797 0.88 CA12 (0.54) PKMPKLRNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL27510965 0.86 CA12 (0.53) PKMPKLRNPC1RAB9AMEN1
SCHEMBL1480205 0.86 PKM (0.52) PKMPKLRNPC1RAB9AHTT
SCHEMBL14501843 0.86 PKM (0.58) PKMPKLRNPC1RAB9AHTT
SCHEMBL2224714 0.83 PKM (0.65) PKMPKLRNPC1RAB9AHTT

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-115513392-A Organometallic compound and light-emitting element including the same 三星显示有限公司 2022-12-23 CN disclosed