SCHEMBL9219488

SCHEMBL9219488

COC(=O)CC[S+]([O-])CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
RECQL P46063 1/20 0.32
SLC1A1 P43005 1/20 0.30
CA7 P43166 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
SCHEMBL28615361 0.91 TSHR (0.57) TSHRKMT2AMEN1LMNACA12
SCHEMBL8257596 0.81 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL17072517 0.80 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL28619980 0.80 TSHR (0.46) TSHRKMT2AMEN1LMNACA12
SCHEMBL11895137 0.77 TSHR (0.58) TSHRKMT2AMEN1LMNACA12
SCHEMBL17072512 0.76 TSHR (0.40) TSHRKMT2AMEN1LMNACA12
SCHEMBL18534097 0.76 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL17072510 0.74 TSHR (0.39) TSHRKMT2AMEN1LMNACA12
SCHEMBL20760739 0.74
SCHEMBL17072507 0.72 TSHR (0.38) TSHRKMT2AMEN1LMNACA12

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
JP-7300451-A None JP disclosed
JP-H07300451-A NEW SULFONE COMPOUND NIPPON SHOKUBAI CO LTD 1995-11-14 JP disclosed