SCHEMBL8386396

SCHEMBL8386396

COc1ccc(-c2ccccc2)c(C(=O)O)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HTT P42858 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40

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
SCHEMBL8381595 0.86 CA12 (0.50) KMT2AMEN1PKMCA12CA1
SCHEMBL10163156 0.78 CA12 (0.43) KMT2AMEN1PKMCA12CA1
SCHEMBL4063174 0.77 CA12 (0.55) KMT2AMEN1PKMCA12CA1
SCHEMBL6536174 0.77 CA12 (0.50) KMT2AMEN1PKMCA12CA1
SCHEMBL14322385 0.76 CA12 (0.49) KMT2AMEN1PKMCA12CA1
SCHEMBL28667937 0.74 CA12 (0.55) KMT2AMEN1PKMCA12CA1
SCHEMBL6535999 0.74 HK2 (0.56) KMT2AMEN1PKMCA12CA1
SCHEMBL30536599 0.73 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL4002652 0.73 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL29672066 0.73 MEN1 (0.53) KMT2AMEN1PKMCA12CA1

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-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed