SCHEMBL14036622

SCHEMBL14036622

COc1cc(C)c(Br)cc1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
GAA P10253 1/20 0.65
GFER P55789 1/20 0.65
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RX3 P56373 3/20 0.42
P2RX2 Q9UBL9 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL131811 0.84 POLB (0.55) POLBGAAGFERLMNAALDH1A1
SCHEMBL13816285 0.83 GAA (0.53) POLBGAAGFERP2RX3P2RX2
SCHEMBL4064857 0.83 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL6852792 0.83 POLB (0.68) POLBGAAGFERLMNAMEN1
SCHEMBL20373370 0.82 POLB (0.45) POLBGAAGFERLMNATSHR
Thymoquinol Dimethylether SCHEMBL12613923 0.81 POLB (0.66) POLBGAAGFERLMNAMEN1
SCHEMBL14295929 0.81 POLB (0.66) POLBGAAGFERLMNAMEN1
SCHEMBL28767120 0.81 LMNA (0.57) POLBGAAGFERLMNAALDH1A1
SCHEMBL26551436 0.80 POLB (0.96) POLBGAAGFERLMNAMEN1
SCHEMBL13748156 0.79 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603023-A Green synthesis method for preparing deuterated compound under illumination 中山大学 2024-02-27 CN disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed