SCHEMBL8670612

SCHEMBL8670612

CCCCCCCC[PH](CCCCCCCC)(CCCCCCCC)Cc1cccc(C[PH](CCCC)(CCCC)CCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KCNH2 Q12809 2/20 0.37
DNM1 Q05193 2/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL11128949 0.86 DNM1 (0.46) KCNH2DNM1MEN1TP53MAPK1
SCHEMBL3382982 0.86 DNM1 (0.46) KCNH2DNM1MEN1TP53MAPK1
SCHEMBL915232 0.86 ESR1 (0.41) LPLLIPGTP53
Phosphine SCHEMBL27539974 0.85 DNM1 (0.44) KCNH2DNM1MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL28908434 0.85 DNM1 (0.44) KCNH2DNM1MEN1TP53MAPK1
SCHEMBL28310861 0.84 TP53 (0.41) KCNH2DNM1MEN1TP53MAPK1
SCHEMBL9306112 0.84 SIGMAR1 (0.44) KCNH2DNM1MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL29155877 0.84 ESR1 (0.39) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL8670838 0.84 ESR1 (0.42) LPLLIPGTP53
Hydrochloric Acid SCHEMBL28770943 0.83 DNM1 (0.43) KCNH2DNM1MEN1TP53MAPK1

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
EP-0630884-B1 Method and composition providing enhanced chemiluminescence from chemiluminescent compounds using dicationic surfactants LUMIGEN INC (US) 1998-12-23 EP claimed