SCHEMBL6400202

SCHEMBL6400202

Cc1cc(C)cc(-c2cccc(C3(c4cccc(-c5cc(C)cc(C)c5)c4O)CCCCC3)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
PGR P06401 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PDK2 Q15119 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACLY P53396 1/20 0.33
HDAC4 P56524 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
SCHEMBL6400197 0.82 ESR1 (0.41) ACHEMEN1KMT2ACNR1CNR2
SCHEMBL726409 0.77 ESR1 (0.42) ACHEMEN1KMT2ACNR1CNR2
SCHEMBL23581823 0.75 ACHE (0.48) ACHEESR1ESR2ALDH1A1HDAC4
SCHEMBL726368 0.75 ESR1 (0.43) ACHEMEN1KMT2ACNR1CNR2
SCHEMBL9656072 0.73 ALDH1A1 (0.50) ACHEESR1ESR2ALDH1A1HDAC4
SCHEMBL8840942 0.71 ALDH1A1 (0.44) ACHEESR1ESR2PGRALOX12
SCHEMBL21801277 0.70 RPS6KA3 (0.41) ACHEMEN1KMT2ACNR1CNR2
SCHEMBL31179852 0.70 RPS6KA3 (0.41) ACHEMEN1KMT2ACNR1CNR2
SCHEMBL18468531 0.69 PDK2 (0.54) PGRPDK2L3MBTL1
SCHEMBL24129070 0.69 PDK2 (0.46) PGRPDK2

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-6849706-B1 Copolyetherimides GENERAL ELECTRIC COMPANY (US) 2005-02-01 US claimed