SCHEMBL8613683

SCHEMBL8613683

CCCCCCCCCCCCOS(=O)(=O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CA1 P00915 9/20 0.43
▸ CA2 P00918 9/20 0.43
▸ CA9 Q16790 9/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA3 P07451 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ RECQL P46063 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL28766690 1.00 TSHR (0.44) TSHRLMNAALDH1A1CA1CA2
SCHEMBL31550979 1.00 TSHR (0.44) TSHRLMNAALDH1A1CA1CA2
Ammonia Solution, Strong SCHEMBL30109020 0.98 TSHR (0.43) TSHRLMNAALDH1A1CA1CA2
SCHEMBL31236623 0.98 TSHR (0.43) TSHRLMNAALDH1A1CA1CA2
Zinc Ion SCHEMBL31255855 0.97 TSHR (0.42) TSHRLMNAALDH1A1CA1CA2
SCHEMBL16047004 0.90 CA1 (0.48) TSHRLMNAALDH1A1CA1CA2
SCHEMBL29165398 0.86 LMNA (0.41) TSHRLMNAALDH1A1CA1CA2
SCHEMBL17766084 0.86 LMNA (0.41) TSHRLMNAALDH1A1CA1CA2
SCHEMBL20854832 0.86 LMNA (0.41) TSHRLMNAALDH1A1CA1CA2
SCHEMBL7190008 0.85 CA2 (0.47) TSHRALDH1A1CA1CA2CA9

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
US-5776876-A SWIMMING POOL FILTER CLEANING COMPOSITION BIO-LAB, INC. (US) 1998-07-07 — — US disclosed
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