SCHEMBL6631300

SCHEMBL6631300

O=S(=O)(O)c1[c]ccc(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10601108 0.81 LMNA (0.32) LMNAALDH1A1HSD17B10
SCHEMBL6632842 0.76 CA12 (0.42) ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL10447228 0.75 MAPT (0.38) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL483018 0.74 SMN1; SMN2 (0.34) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL9236268 0.73 TSHR (0.33) LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6630125 0.70 CYP2D6 (0.32) TSHRSMN1; SMN2
SCHEMBL6632029 0.70 LMNA (0.33) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL11800128 0.68 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHR
SCHEMBL15303121 0.68 TDP2 (0.30)
SCHEMBL693708 0.68 ALDH1A1 (0.31) ALDH1A1HSD17B10TSHR

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
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed