SCHEMBL9440372

SCHEMBL9440372

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.41
S1PR1 P21453 2/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
SLC12A2 P55011 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
PLA2G2A P14555 1/20 0.36
ALOX5 P09917 3/20 0.36
PTGES O14684 2/20 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
SCHEMBL9440792 0.89 L3MBTL1 (0.43) S1PR3KDM4EALDH1A1LMNAHPGD
SCHEMBL9440514 0.88 S1PR3 (0.41) S1PR3S1PR1KDM4EUSP2ALDH1A1
SCHEMBL9440731 0.81 LCK (0.42) S1PR3S1PR1CA2TSHRLCK
SCHEMBL9440360 0.77 L3MBTL1 (0.43) S1PR3KDM4EALDH1A1LMNAHPGD
SCHEMBL2775366 0.77 LCK (0.53) S1PR3S1PR1KDM4EUSP2ALDH1A1
SCHEMBL2774785 0.77 LCK (0.53) S1PR3S1PR1KDM4EUSP2ALDH1A1
SCHEMBL9440644 0.77 LCK (0.46) KDM4EALDH1A1CA2TSHRHSD17B10
SCHEMBL9440879 0.76 PLA2G2A (0.46) S1PR3S1PR1TSHRLCKFYN
SCHEMBL9440583 0.76 PLA2G2A (0.46) S1PR3S1PR1TSHRLCKFYN
SCHEMBL9440910 0.76 LCK (0.44) S1PR3S1PR1CA2LCKFYN

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