SCHEMBL7770665

SCHEMBL7770665

O=P(Oc1cccc(OP(=O)(C2CCCCC2)C2CCCCC2)c1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
SRC P12931 1/20 0.35
HCRTR1 O43613 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
FAAH O00519 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 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
SCHEMBL777790 0.87 SRC (0.45) SMN1; SMN2RAB9ASRCPKMALDH1A1
SCHEMBL5678305 0.82 SRC (0.40) SMN1; SMN2CYP3A4CYP1A2CYP2C19POLB
SCHEMBL8349055 0.72 SRC (0.45) RAB9ASRCALDH1A1
SCHEMBL31012115 0.70 KMO (0.49)
SCHEMBL29402836 0.70 KMO (0.49)
SCHEMBL1787743 0.70 KMO (0.49)
SCHEMBL779521 0.70 LMNA (0.41) SMN1; SMN2CYP3A4CYP1A2CYP2C19POLB
SCHEMBL11734526 0.69 GPR84 (0.51) SMN1; SMN2CYP1A2RAB9AHPGDFAAH
SCHEMBL11340668 0.69 SRC (0.42) SMN1; SMN2RAB9ASRCPKMALDH1A1
SCHEMBL11658493 0.69 SRC (0.52) SMN1; SMN2CYP2C19RAB9ASRCPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112313-A1 HALOGEN-FREE FLAME RETARDANT THERMOPLASTIC POLYMER COMPOSITIONS ALBEMARLE CORPORATION (US) 2001-07-04 EP disclosed
WO-2000017268-A1 HALOGEN-FREE FLAME RETARDANT THERMOPLASTIC POLYMER COMPOSITIONS ALBEMARLE CORPORATION (US) 2000-03-30 WO disclosed