SCHEMBL8709296

SCHEMBL8709296

C=CC(O)(CCCCCCCCC)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.45
CETP P11597 3/20 0.43
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6811511 0.99 MBOAT4 (0.43) MBOAT4CETPGAABCHEACHE
SCHEMBL8709144 0.81 CETP (0.41) MBOAT4CETPBCHEACHEMEN1
SCHEMBL6811521 0.79 CETP (0.39) MBOAT4CETPGAABCHEACHE
SCHEMBL8707828 0.79 CETP (0.39) MBOAT4CETPGAABCHEACHE
SCHEMBL16459448 0.78 CETP (0.47) MBOAT4CETPGAAMEN1KMT2A
SCHEMBL1614607 0.77 CETP (0.47) MBOAT4CETPMEN1KMT2AALDH1A1
SCHEMBL1614849 0.77 CETP (0.47) MBOAT4CETPMEN1KMT2AALDH1A1
SCHEMBL10389226 0.73 CETP (0.44) MBOAT4CETPGAAMEN1KMT2A
SCHEMBL9116193 0.73 CETP (0.44) MBOAT4CETPGAAMEN1KMT2A
SCHEMBL1614610 0.73 RXRA (0.43) MBOAT4CETPBCHEMAPK1TDP1

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