SCHEMBL19508166

SCHEMBL19508166

O=S(=O)(Cc1ccccc1)CC(O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 1/20 0.42
FKBP1A P62942 1/20 0.41
RORC P51449 3/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL5499044 0.81 GAA (0.52) HPGDHSD17B10TSHRKMT2APOLB
SCHEMBL2163134 0.80 MMP8 (0.50) HPGDLMNAALDH1A1HSD17B10FKBP1A
SCHEMBL2163129 0.80 MMP8 (0.50) HPGDLMNAALDH1A1HSD17B10FKBP1A
SCHEMBL10454919 0.77 KCNA5 (0.49) LMNAALDH1A1HSD17B10FKBP1ATSHR
SCHEMBL5421601 0.74 FKBP1A (0.51) HPGDALDH1A1FKBP1AKMT2ASMN1; SMN2
SCHEMBL5955863 0.74 FKBP1A (0.51) HPGDALDH1A1FKBP1AKMT2ASMN1; SMN2
SCHEMBL5955811 0.74 FKBP1A (0.51) HPGDALDH1A1FKBP1AKMT2ASMN1; SMN2
SCHEMBL5438934 0.73 CTSS (0.57) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL6649897 0.73 KMT2A (0.51) LMNAALDH1A1HSD17B10FKBP1ATSHR
SCHEMBL3023913 0.73 CTSS (0.57) ALDH1A1KMT2ASMN1; SMN2POLBMEN1

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
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed