SCHEMBL9440792

SCHEMBL9440792

CCCC[PH](CCCC)(OS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ACLY P53396 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGS2 P35354 1/20 0.36
S1PR3 Q99500 1/20 0.35
KAT6A Q92794 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL9440372 0.89 S1PR3 (0.41) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL9440360 0.88 L3MBTL1 (0.43) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL9440620 0.81 KDM4E (0.38) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL3908028 0.80 L3MBTL1 (0.44) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL3900970 0.80 L3MBTL1 (0.44) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL9440613 0.80 TSHR (0.46) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL9440514 0.77 S1PR3 (0.41) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL9440692 0.77 MGLL (0.38) L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL9440934 0.76 KDM4E (0.40) L3MBTL1TSHRALDH1A1HPGDKDM4E
SCHEMBL2771867 0.75 HPGD (0.40) L3MBTL1TSHRALDH1A1HPGDKDM4E

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-0280026-B1 Copolyester fiber TEIJIN LTD (JP) 1994-03-30 EP disclosed
US-4851504-A Cationically-dyeable, thermally-resistant copolyester fiber comprising quaternary phosphonium organic sulfonate groups TEIJIN LIMITED (JP) 1989-07-25 US disclosed
EP-0280026-A2 Copolyester fiber TEIJIN LIMITED (JP) 1988-08-31 EP disclosed