SCHEMBL27599331

SCHEMBL27599331

CCc1ccccc1C12CC3CC(CC(C3)C1)C2.c1cc2ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CYP2D6 P10635 1/20 0.39
HDAC4 P56524 2/20 0.39
RARB P10826 5/20 0.39
RARG P13631 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
HDAC2 Q92769 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL677549 0.81 P2RX7 (0.37) HSD11B1RARBRARGALDH1A1POLB
SCHEMBL5610444 0.81 P2RX7 (0.37) RARBRARGALDH1A1MEN1KMT2A
SCHEMBL5609683 0.78 P2RX7 (0.39) RARBRARGALDH1A1MEN1KMT2A
SCHEMBL14666300 0.77 RARB (0.47) RARBRARGALDH1A1POLBMEN1
SCHEMBL5610372 0.77 P2RX7 (0.37) HSD11B1RARBRARGALDH1A1POLB
SCHEMBL7168325 0.77 P2RX7 (0.35) RARBRARGALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL28746625 0.76 MEN1 (0.50) CYP2D6ALDH1A1MAPTMEN1KMT2A
SCHEMBL7078036 0.76 HDAC4 (0.39) HSD11B1CYP2D6HDAC4ALDH1A1MAPT
SCHEMBL5609840 0.75 GRIN2D (0.37) RARBRARGALDH1A1MEN1KMT2A
SCHEMBL8638025 0.75 RARB (0.41) RARBRARGALDH1A1POLBMEN1

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
CN-1643030-A Low dielectric constant materials and methods of preparation thereof HONEYWELL INT INC (US) 2005-07-20 CN disclosed