SCHEMBL11459726

SCHEMBL11459726

[CH]c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PLCG1 P19174 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ CA2 P00918 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL10455034 0.87 PSIP1 (0.74) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL23351954 0.77 PSIP1 (0.61) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL86088 0.77 ALDH1A1 (0.67) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL2642650 0.77 PSIP1 (0.61) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL1657371 0.75 CA2 (0.59) PSIP1GAACA2KMT2APTGS2
Fluoresone SCHEMBL24999 0.75 PSIP1 (0.58) PSIP1GAAALDH1A1CA2KMT2A
SCHEMBL9908320 0.75 PSIP1 (0.68) PSIP1GAAALDH1A1CA2KMT2A
SCHEMBL6496100 0.75 PSIP1 (0.58) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL23043593 0.75 PSIP1 (0.58) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL1251768 0.75 PSIP1 (0.58) PSIP1GAAALDH1A1CYP3A4CYP2C9

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-4190671-A ANTIINFLAMMATORY, ANTIALLERGENIC, ANTIULCER BIOREX LABORATORIES LIMITED (GB) 1980-02-26 — — US disclosed
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