SCHEMBL882896

SCHEMBL882896

CCCCC1(C)COP(=O)(c2ccccc2)OC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CETP P11597 4/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
ELANE P08246 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GRM2 Q14416 4/20 0.31
ALOX12 P18054 2/20 0.31
GAA P10253 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL15249308 0.83 MEN1 (0.39) MEN1KMT2A
SCHEMBL15249309 0.80 KDM4E (0.35) MEN1KMT2ACETPOPRM1OPRL1
SCHEMBL9910591 0.76 MEN1 (0.36) MEN1KMT2AELANE
SCHEMBL4612258 0.68 CES2 (0.35) KMT2ACETPGAA
SCHEMBL787102 0.66 HPGD (0.36) MEN1KMT2A
SCHEMBL1353352 0.64
SCHEMBL3453682 0.63 HPGD (0.34) MEN1KMT2A
SCHEMBL11140706 0.61 OPRM1 (0.46) OPRM1OPRL1ELANEOPRD1OPRK1
SCHEMBL21077939 0.61 BLM (0.49) MEN1KMT2AGAA
SCHEMBL24931608 0.60 POLB (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040074-A1 MONOHYDROXY CYCLIC PHOSPHONATE SUBSTANTIALLY FREE OF POLYHYDOXY PHOSPHONATE, PROCESS FOR MAKING SAME AND FLAME RETARDANT FLEXIBLE POLYURETHANE FOAM OBTAINED THEREFROM ICL-IP AMERICA INC. (US) 2012-03-29 WO disclosed