SCHEMBL6557595

SCHEMBL6557595

O=P(O)(O)Oc1ccc2c(c1-c1c(OP(=O)(O)O)ccc3c1CCCC3)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.46
INPP5A Q14642 4/20 0.46
AKT1 P31749 1/20 0.46
SRC P12931 1/20 0.44
INPP5B P32019 2/20 0.41
CES1 P23141 5/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STS P08842 1/20 0.38
PARP1 P09874 1/20 0.37
FBP1 P09467 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 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
SCHEMBL17173609 0.72 CES1 (0.41) CES1STSPARP1BCL2L1BAD
SCHEMBL17770807 0.72 KDM4E (0.46) CES1KDM4EALDH1A1HPGD
SCHEMBL3917751 0.70 INPPL1 (0.36) INPPL1INPP5AAKT1SRCINPP5B
SCHEMBL13185845 0.69 KMT2A (0.39) CES1KDM4EALDH1A1PARP1
SCHEMBL3626119 0.69 CES1 (0.36) CES1KDM4EPARP1BCL2L1BAD
SCHEMBL16237015 0.69 KMT2A (0.47) USP2ALDH1A1HSD17B10
SCHEMBL6379376 0.68 INPPL1 (0.55) INPPL1INPP5AAKT1SRCINPP5B
SCHEMBL15766043 0.68 CES1 (0.38) CES1PARP1BCL2L1BAD
SCHEMBL16239266 0.68 KMT2A (0.46) USP2ALDH1A1HSD17B10
SCHEMBL16812541 0.68 ALDH1A1 (0.36) CES1KDM4EALDH1A1HPGD

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