SCHEMBL8709144

SCHEMBL8709144

C=CC(Br)(CCCCCCCCC)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.41
MBOAT4 Q96T53 1/20 0.41
DNM1 Q05193 2/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.35
HTT P42858 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
SCHEMBL6811521 0.98 CETP (0.39) CETPMBOAT4DNM1EBPSIGMAR1
SCHEMBL8711753 0.88 TSHR (0.36) CETPMBOAT4TP53MAPK1
SCHEMBL8709296 0.81 MBOAT4 (0.45) CETPMBOAT4BCHEACHEMEN1
SCHEMBL8707828 0.81 CETP (0.39) CETPMBOAT4DNM1EBPSIGMAR1
SCHEMBL6811511 0.79 MBOAT4 (0.43) CETPMBOAT4BCHEACHEMEN1
SCHEMBL1614849 0.78 CETP (0.47) CETPMBOAT4DNM1SIGMAR1MEN1
SCHEMBL1614607 0.78 CETP (0.47) CETPMBOAT4DNM1SIGMAR1MEN1
SCHEMBL9116193 0.78 CETP (0.44) CETPMBOAT4DNM1SIGMAR1MEN1
SCHEMBL10389226 0.74 CETP (0.44) CETPMBOAT4DNM1SIGMAR1MEN1
SCHEMBL9221499 0.73 CETP (0.43) CETPMBOAT4DNM1SIGMAR1MEN1

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
US-5731395-A POLYMER CONTAINING DIVINYLBENZENE AND STYRENE COMPOUND ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed