SCHEMBL8580207

SCHEMBL8580207

COc1cc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
TSHR P16473 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
FABP5 Q01469 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
SCHEMBL12929982 0.82 POLB (0.42) POLBGAAGFERLMNAALDH1A1
SCHEMBL16248039 0.81 GABRA1 (0.37) POLBGAAGFERGABRA1GABRB2
SCHEMBL16450517 0.80 GABRA1 (0.34) POLBGAAGFERGABRA1GABRB2
SCHEMBL12326178 0.80 ACHE (0.44) POLBGAAGFERALDH1A1MEN1
SCHEMBL26328949 0.79 POLB (0.39) POLBGAAGFERLMNAALDH1A1
SCHEMBL29824511 0.74 HDAC4 (0.51) POLBGAAGFERALDH1A1MEN1
SCHEMBL11436435 0.73 HDAC4 (0.44) POLBGAAGFERMEN1KMT2A
SCHEMBL12993780 0.73 CA1 (0.37) POLBGAAGFERALDH1A1MEN1
SCHEMBL10177355 0.73 POLB (0.41) POLBGAAGFERMEN1KMT2A
SCHEMBL10177330 0.73 POLB (0.41) POLBGAAGFERALDH1A1MEN1

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-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US claimed