SCHEMBL9691621

SCHEMBL9691621

CCC(=O)OC(CCl)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.39
▸ MME P08473 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ENPP3 O14638 2/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL9691605 1.00 STAT3 (0.39) STAT3MMEKMT2AALDH1A1POLB
SCHEMBL9772016 0.90 POLB (0.38) STAT3MMEKMT2AALDH1A1POLB
SCHEMBL9772004 0.90 POLB (0.38) STAT3MMEKMT2AALDH1A1POLB
SCHEMBL9772012 0.90 POLB (0.38) STAT3MMEKMT2AALDH1A1POLB
SCHEMBL5471181 0.86 AR (0.41) STAT3MMEKMT2AALDH1A1CTDSP1
SCHEMBL9771979 0.86 AR (0.41) STAT3MMEKMT2AALDH1A1CTDSP1
SCHEMBL5475793 0.86 AR (0.41) STAT3MMEKMT2AALDH1A1CTDSP1
SCHEMBL9689434 0.85 PLA2G2C (0.39) STAT3KMT2AALDH1A1POLBLMNA
SCHEMBL9689444 0.85 PLA2G2C (0.39) STAT3KMT2AALDH1A1POLBLMNA
SCHEMBL9466068 0.82 STAT3 (0.41) STAT3KMT2AALDH1A1POLBCTDSP1

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
EP-0490407-A2 Process for the enzymatic separation of the optical isomers of tosyloxy-alkanols MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-06-17 — — EP disclosed
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