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Sugi Predict / Compounds / SCHEMBL6557223

SCHEMBL6557223

SCHEMBL6557223

O=P1([O-])Oc2ccc3c(c2-c2c(ccc4c2CCCC4)O1)CCCC3.O=P1([O-])Oc2ccc3c(c2-c2c(ccc4c2CCCC4)O1)CCCC3.O=P1([O-])Oc2ccc3c(c2-c2c(ccc4c2CCCC4)O1)CCCC3.[Gd+3]

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.31
▸ BAD Q92934 1/20 0.31
▸ NQO1 P15559 1/20 0.30

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
SCHEMBL6557449 0.97 CES1 (0.38) CES1PARP1BCL2L1BADNQO1
SCHEMBL6557255 0.97 PARP1 (0.39) CES1PARP1BCL2L1BADNQO1
SCHEMBL6557292 0.81 GPR84 (0.44) CES1PARP1BCL2L1BADNQO1
SCHEMBL29463992 0.81 GPR84 (0.44) CES1PARP1BCL2L1BADNQO1
SCHEMBL6557228 0.81 CES1 (0.39) CES1PARP1BCL2L1BADNQO1
SCHEMBL18965866 0.80 GPR84 (0.42) CES1PARP1BCL2L1BADNQO1
SCHEMBL18965964 0.80 GPR84 (0.42) CES1PARP1BCL2L1BADNQO1
SCHEMBL887350 0.73 PARP1 (0.34) CES1PARP1
SCHEMBL887383 0.73 CES1 (0.33) CES1PARP1
SCHEMBL18032998 0.70 CES1 (0.41) CES1PARP1BCL2L1BADNQO1

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-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 — — EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 — — US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 — — EP disclosed