SCHEMBL6014200

SCHEMBL6014200

O=P(O)(O)Oc1cc([C]Oc2ccccc2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.45
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
INPPL1 O15357 9/20 0.37
INPP5A Q14642 6/20 0.37
INPP5B P32019 2/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKT1 P31749 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PTK2B Q14289 1/20 0.33

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
SCHEMBL16414370 0.89 INPPL1 (0.41) INPPL1INPP5AINPP5BAKT1
SCHEMBL1696485 0.80 INPPL1 (0.41) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL6012187 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10NPC1
SCHEMBL4580479 0.70 INPPL1 (0.52) ALDH1A1HSD17B10INPPL1INPP5AINPP5B
SCHEMBL2127225 0.69 LMNA (0.64) SRCKDM4EUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL29188656 0.68 LMNA (0.62) SRCKDM4EUSP2ALDH1A1HPGD
Phenyl Dihydrogen Phosphate SCHEMBL28311333 0.65 SRC (1.00) SRCKDM4EUSP2ALDH1A1HPGD
Phenyl Dihydrogen Phosphate SCHEMBL20263 0.65 SRC (1.00) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL4333883 0.65 INPPL1 (0.45) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL15315299 0.64 INPPL1 (0.58) SRCKDM4EUSP2ALDH1A1HPGD

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-2006073424-A9 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ P (US) 2006-08-24 WO disclosed