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SCHEMBL6557255

SCHEMBL6557255

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.[Sc+3]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ CES1 P23141 6/20 0.38
▸ 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) PARP1CES1BCL2L1BADNQO1
SCHEMBL6557223 0.97 CES1 (0.38) PARP1CES1BCL2L1BADNQO1
SCHEMBL6557228 0.81 CES1 (0.39) PARP1CES1BCL2L1BADNQO1
SCHEMBL29463992 0.81 GPR84 (0.44) PARP1CES1BCL2L1BADNQO1
SCHEMBL6557292 0.81 GPR84 (0.44) PARP1CES1BCL2L1BADNQO1
SCHEMBL18965866 0.80 GPR84 (0.42) PARP1CES1BCL2L1BADNQO1
SCHEMBL18965964 0.80 GPR84 (0.42) PARP1CES1BCL2L1BADNQO1
SCHEMBL887350 0.73 PARP1 (0.34) PARP1CES1
SCHEMBL887383 0.73 CES1 (0.33) PARP1CES1
SCHEMBL18032998 0.70 CES1 (0.41) PARP1CES1BCL2L1BADNQO1

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