SCHEMBL9440644

SCHEMBL9440644

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
AKR1C3 P42330 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1C1 Q04828 1/20 0.36
DHODH Q02127 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
WDR5 P61964 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
SCHEMBL9440613 0.85 TSHR (0.46) TSHRALDH1A1CA1CA2MAPT
SCHEMBL9440781 0.81 TDP1 (0.39) ALDH1A1CA1CA2
SCHEMBL28215453 0.79 HTR6 (0.42) TSHRALDH1A1CA1CA2KMT2A
SCHEMBL9440880 0.77 LCK (0.42) LCKFYNCYP1A2TSHRAKR1C3
SCHEMBL9440698 0.77 KDM4E (0.50) TSHRALDH1A1F2PRSS1PRSS2
SCHEMBL9440514 0.77 S1PR3 (0.41) LCKFYNTSHRALDH1A1CA2
SCHEMBL9440372 0.77 S1PR3 (0.41) LCKFYNTSHRALDH1A1CA2
SCHEMBL750234 0.75 LCK (0.50) LCKFYNCYP1A2AKR1C3CA1
SCHEMBL2774712 0.73 LCK (0.69) LCKFYNCYP1A2TSHRDAO
SCHEMBL3906501 0.71 LCK (0.46) LCKFYNCYP1A2TSHRDAO

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