SCHEMBL10595404

SCHEMBL10595404

[CH2]COc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MEP1B Q16820 1/20 0.36
KAT6A Q92794 2/20 0.36
F2 P00734 1/20 0.36
SNCA P37840 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL14908860 0.84 TSHR (0.48) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL27703633 0.82 TSHR (0.47) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL11018231 0.82 TSHR (0.52) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL28773164 0.82 TSHR (0.47) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL3492741 0.82 KAT6A (0.51) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL27704142 0.82 TSHR (0.47) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL29165418 0.81 CA12 (0.49) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL8372476 0.80 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL9354238 0.79 LMNA (0.58) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11365890 0.79 TSHR (0.55) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168751-B1 WATER SOLUBLE TRIPHENEDIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-08 EP claimed
EP-0168751-B1 WATER SOLUBLE TRIPHENEDIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-08 EP disclosed
US-4040840-A MEROCYANINE DYE HAVING ISOXAZOLE NUCLEUS AND PYRAZOLINE-5-ONE NUCLEUSN FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed