SCHEMBL9440381

SCHEMBL9440381

COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)O)c1.c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
HIF1A Q16665 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ACLY P53396 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL9440864 0.84 LCK (0.62) LMNATSHRALDH1A1LCKFYN
SCHEMBL10484399 0.84 POLB (0.44) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL9440606 0.82 TSHR (0.47) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL6555898 0.81 HPGD (0.44) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL124987 0.81 LCK (0.57) LMNATSHRALDH1A1KDM4ECA1
SCHEMBL29620305 0.81 LCK (0.57) LMNATSHRALDH1A1KDM4ECA1
SCHEMBL10434882 0.80 TSHR (0.49) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL9440394 0.80 LCK (0.46) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL3915612 0.79 TSHR (0.47) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL472701 0.79 LCK (0.55) LMNATSHRALDH1A1KDM4ECA1

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